data_2jp0_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 2jp0 _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 ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -140.06 154.36 47.05 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.605 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -70.73 1.78 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.704 0.288 . . . . 0.0 111.698 -178.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.57 -18.37 19.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.2 m-20 -66.98 140.89 96.32 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 21.2 Cg_exo -65.93 -22.25 56.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 111.811 176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.67 -17.09 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.633 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.2 t80 -72.77 128.9 36.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.382 0.61 . . . . 0.0 110.457 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -114.91 133.65 55.81 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.139 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.545 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -150.68 157.77 43.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.386 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -147.35 152.43 38.19 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.827 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.721 ' H ' HD22 ' A' ' 84' ' ' LEU . 83.9 mt -90.94 126.73 36.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 169.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -57.08 152.28 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.545 0.528 . . . . 0.0 111.425 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -43.75 -59.24 2.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.772 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t 48.85 -93.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.949 0.78 . . . . 0.0 112.729 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -138.47 -40.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.014 0.435 . . . . 0.0 110.075 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 48.2 t -136.08 142.27 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -4.73 41.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 111.146 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -112.87 17.6 18.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 51.4 tt0 -158.94 94.6 1.23 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.301 0.572 . . . . 0.0 110.432 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.63 -165.6 24.28 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.549 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -79.01 144.49 34.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -78.17 113.17 15.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.182 0.515 . . . . 0.0 110.53 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.86 120.58 42.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.43 154.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 111.761 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -93.49 117.1 29.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.726 HD13 HD12 ' A' ' 105' ' ' ILE . 75.8 mt -105.47 -177.66 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.65 -45.33 81.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.93 -47.16 81.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.756 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.18 -158.27 28.27 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.039 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.545 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.8 m95 -73.84 128.79 36.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.361 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -139.77 142.22 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.231 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' A' ' 104' ' ' SER . 72.7 mtp -80.17 150.68 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.01 132.95 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.889 0.376 . . . . 0.0 110.354 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 62' ' ' GLN . 15.8 t -90.85 136.62 32.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 p -79.95 41.85 0.53 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.636 0.731 . . . . 0.0 111.621 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 60' ' ' CYS . 25.4 tp60 -130.92 25.86 4.96 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -99.71 157.02 16.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.885 -169.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 59.51 23.23 11.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.978 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.41 26.2 74.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.599 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -102.59 146.38 28.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -90.86 159.01 16.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -77.97 55.0 1.37 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.315 0.579 . . . . 0.0 111.882 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.21 147.44 43.78 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.58 115.6 5.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.967 0.413 . . . . 0.0 111.645 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.465 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 11.3 p90 -83.31 171.14 13.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.462 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.31 -9.48 57.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -165.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.633 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.8 t70 -122.66 106.45 34.76 Favored Pre-proline 0 C--N 1.327 -0.381 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.714 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -96.51 -8.98 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 0.0 112.659 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -69.99 -20.75 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.992 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.633 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 77.9 mm-40 -63.19 -13.16 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.72 13.88 27.5 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.2 m -58.54 -41.57 85.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.998 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -62.47 -31.54 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.58 -47.11 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 78.8 m -57.86 -37.67 74.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 109.948 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.55 -37.73 87.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.169 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -64.92 -26.73 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.721 HD22 ' H ' ' A' ' 37' ' ' LEU . 9.2 mp -100.82 7.71 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.29 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.1 t30 58.98 44.44 16.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.7 m -109.92 -176.8 3.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.428 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.23 -158.09 33.89 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.58 149.96 94.59 Favored Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 122.716 0.406 . . . . 0.0 110.811 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.43 118.4 4.89 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.936 2.424 . . . . 0.0 112.426 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.538 HD13 HD21 ' A' ' 133' ' ' LEU . 85.9 mt -79.78 -40.36 28.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.01 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -153.82 152.68 30.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.687 ' HG ' HD12 ' A' ' 130' ' ' LEU . 1.7 tt -147.22 114.1 6.12 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.98 -159.77 27.41 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.145 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.67 112.89 3.19 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.516 2.144 . . . . 0.0 112.002 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.594 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 50.2 t80 -113.1 92.59 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.016 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt 69.13 -178.23 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.769 0.668 . . . . 0.0 111.105 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 37.7 ttmt -130.31 92.08 3.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.221 -177.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -79.65 -48.0 14.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.96 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 63.52 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.574 0.702 . . . . 0.0 112.714 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.6 m -150.15 82.13 6.55 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.182 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.34 68.71 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.95 3.1 . . . . 0.0 113.113 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 178.63 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -81.34 -35.55 30.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.766 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.5 p -82.42 132.97 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.091 0.472 . . . . 0.0 110.677 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.726 HD12 HD13 ' A' ' 52' ' ' LEU . 31.8 pt -119.94 163.19 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.647 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.5 mt -131.2 123.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.354 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.62 146.74 26.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.09 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -121.19 138.71 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.08 -119.54 2.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.666 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 132.86 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 tp -51.15 114.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.26 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.11 -20.11 10.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.188 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.9 t -89.01 128.5 35.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -113.95 32.05 6.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.287 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -74.18 84.32 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.36 79.23 0.26 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.155 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 58.9 m -87.69 164.36 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.427 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.2 m -104.89 159.57 15.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.753 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -74.21 148.64 41.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 p -75.21 72.31 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 111.495 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -87.83 60.45 5.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -137.97 163.68 30.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.202 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.45 20.24 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.6 ptp -155.07 68.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.271 0.558 . . . . 0.0 111.285 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 52.8 t -100.95 132.42 46.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.995 0.426 . . . . 0.0 109.892 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -121.33 151.52 40.01 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -78.98 136.53 37.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.769 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.14 127.44 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.594 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.17 145.69 16.68 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.639 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.687 HD12 ' HG ' ' A' ' 92' ' ' LEU . 61.6 tp -125.69 126.94 45.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.0 m -109.92 108.72 19.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.263 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.4 m -107.0 147.6 29.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.538 HD21 HD13 ' A' ' 90' ' ' LEU . 54.8 mt -61.71 155.22 23.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.48 0.181 . . . . 0.0 110.667 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.06 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 115' ' ' SER . 6.5 mp . . . . . 0 C--O 1.225 -0.226 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.9 m -97.0 154.23 17.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -74.08 24.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.115 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' SER . 27.8 m-85 -132.57 17.21 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.341 171.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -99.73 143.24 26.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.25 -16.87 35.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.985 2.457 . . . . 0.0 112.57 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.57 -8.81 49.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.1 118.36 21.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.8 mm100 -104.44 137.84 41.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.183 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 159.45 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.82 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -153.02 155.66 37.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.16 126.33 51.96 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 77.2 p -62.7 153.69 31.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -80.24 50.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -74.35 -45.32 47.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.281 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.434 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 11.8 m120 -122.76 -62.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.963 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.441 ' HG ' ' CD ' ' A' ' 134' ' ' GLU . 15.7 t -152.99 -175.31 5.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.561 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.76 -33.42 73.87 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.372 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 82.4 m -97.56 18.85 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 3.3 pt20 -161.42 114.53 1.9 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 111.967 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.52 -161.3 31.07 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.418 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.425 ' HG2' ' HE1' ' A' ' 58' ' ' MET . 6.0 mp0 -74.98 142.48 43.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 117.067 0.434 . . . . 0.0 109.927 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.66 106.05 16.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.159 0.504 . . . . 0.0 109.772 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -109.34 123.36 49.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.27 155.21 21.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 111.521 -172.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.4 t80 -92.51 107.39 19.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.133 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.767 HD11 HD12 ' A' ' 105' ' ' ILE . 70.3 mt -84.84 175.98 8.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.72 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.64 -38.43 69.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 109.691 177.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.34 -16.11 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.592 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.15 -179.6 21.34 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.686 -1.245 . . . . 0.0 113.819 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -71.23 130.03 40.39 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.955 0.502 . . . . 0.0 111.629 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -146.18 157.72 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.425 ' HE1' ' HG2' ' A' ' 47' ' ' GLN . 73.3 mtp -91.18 137.59 32.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.28 140.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 0.0 111.064 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 t -99.24 140.99 32.59 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.7 ' HA ' HD13 ' A' ' 128' ' ' LEU . 79.6 p -67.46 -24.82 65.66 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.76 24.87 2.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.172 0.511 . . . . 0.0 110.846 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.3 t -79.83 161.47 25.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.948 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 56.96 30.42 18.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.865 0.466 . . . . 0.0 111.598 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.62 16.16 69.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.094 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -74.4 159.42 32.36 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 p -72.21 154.04 41.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.098 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 51.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.131 0.491 . . . . 0.0 111.09 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.621 ' HG2' ' H ' ' A' ' 70' ' ' GLN . 42.2 tttp -149.08 -169.28 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 10.3 tt0 -94.78 130.25 41.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -177.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -90.67 161.11 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.915 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.31 41.21 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.73 0.3 . . . . 0.0 111.688 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -155.62 80.23 4.15 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 0.0 110.195 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.496 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 93.6 Cg_endo -81.04 -10.18 12.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.556 2.17 . . . . 0.0 112.014 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.62 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 7.5 m -64.33 -11.86 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.042 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 34.4 mm-40 -59.02 -25.48 63.72 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.061 175.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.8 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.586 -176.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -54.37 -48.45 71.47 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.35 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 23.1 tptm -61.68 -38.19 86.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.231 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 84' ' ' LEU . 97.7 t -63.51 -53.92 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.27 -45.9 91.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.11 -42.66 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.769 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 2.0 mmp_? -74.16 -18.15 60.82 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.936 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 80' ' ' VAL . 9.7 mp -88.27 11.72 15.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.412 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 65.31 37.09 6.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.955 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.2 m -116.77 163.66 15.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.119 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -151.54 25.87 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.235 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.9 m-20 -56.79 148.22 48.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.887 0.375 . . . . 0.0 111.645 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.62 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 5.7 Cg_exo -76.24 124.47 7.85 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.946 2.431 . . . . 0.0 111.336 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 133' ' ' LEU . 95.8 mt -88.64 -52.09 5.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -176.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.41 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 6.4 p -140.46 146.99 38.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.36 113.54 5.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.38 -144.85 8.92 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.841 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.65 103.84 1.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.243 1.962 . . . . 0.0 111.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.996 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 66.3 t80 -84.62 -49.82 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.383 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.9 tp -154.17 151.15 28.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -96.91 82.04 3.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.6 m -73.65 -32.16 63.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.453 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 70.67 -25.91 0.16 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.6 m -50.72 107.19 0.76 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 111.961 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.23 -33.26 24.87 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.407 2.738 . . . . 0.0 112.533 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.485 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 8.7 tp-100 -64.82 -32.66 74.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.053 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.7 m -88.27 -32.75 18.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.692 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.9 p -92.06 156.56 17.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.408 0.623 . . . . 0.0 112.147 -171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.767 HD12 HD11 ' A' ' 52' ' ' LEU . 24.8 pt -135.35 151.95 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.209 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 mt -119.97 116.36 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 158.77 15.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -131.56 155.33 47.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.83 -125.18 6.55 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.225 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -101.88 141.19 35.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.673 0.273 . . . . 0.0 110.879 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.44 101.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.66 -12.58 5.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.397 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.5 t -100.23 119.71 38.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -110.8 31.13 6.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.522 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 26' ' ' LEU . 45.6 m -62.01 -40.09 94.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.944 -172.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -154.93 95.92 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 110.39 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 27.4 m -98.71 151.46 20.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.211 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 m -93.23 135.5 34.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.817 0.342 . . . . 0.0 111.011 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.485 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 10.0 t60 -57.53 125.6 23.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 174.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.5 t -69.94 92.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 0.0 110.94 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -89.88 53.23 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.34 150.89 24.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.36 22.39 10.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 81.0 mtp -109.28 17.25 21.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.238 0.542 . . . . 0.0 109.867 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.5 t -84.2 134.8 34.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.387 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -107.69 119.36 39.22 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -66.16 130.39 43.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 -174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 61' ' ' SER . 9.1 tt -80.32 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.262 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.996 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -123.99 151.16 17.07 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.954 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 60.8 tp -124.38 128.24 48.78 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.41 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 74.7 m -116.1 110.07 18.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.6 m -107.83 154.22 21.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 90' ' ' LEU . 30.1 mt -57.79 127.87 34.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.79 0.328 . . . . 0.0 110.524 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 32.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.423 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 29' ' ' TYR . 9.6 t -118.83 145.94 45.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 17.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.042 0.449 . . . . 0.0 111.887 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.582 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -121.31 6.17 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 177.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -95.76 142.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.178 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.93 -12.12 33.59 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.986 2.457 . . . . 0.0 112.766 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.89 1.73 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.339 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.1 117.51 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.2 mp0 -95.61 131.97 41.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.494 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.9 154.27 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' NH1' ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.96 156.47 42.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.7 mt -99.82 132.83 44.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.495 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 41.1 p -52.04 144.05 12.78 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.678 0.611 . . . . 0.0 111.531 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -75.25 54.18 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.424 0.631 . . . . 0.0 109.33 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -90.6 -66.92 0.88 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.065 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.39 -59.37 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.15 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 1.011 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 37.0 t -123.17 146.07 48.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 109.95 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 43' ' ' LYS . 19.9 ptmt -61.26 -22.8 65.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.756 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 69.3 m -118.64 25.58 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.425 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 1.011 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 28.4 tt0 -159.51 109.78 1.93 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.128 0.49 . . . . 0.0 111.253 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.54 -169.81 38.37 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.06 138.6 47.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 tp -80.0 116.67 20.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.977 0.418 . . . . 0.0 110.888 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.13 127.11 52.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.613 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.67 150.84 15.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -90.01 106.22 18.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.053 0.454 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.25 172.64 8.08 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -54.79 -32.17 59.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.904 0.383 . . . . 0.0 111.351 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.82 34.57 3.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.79 175.79 20.47 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.123 -1.036 . . . . 0.0 114.238 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.468 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 93.1 m95 -75.65 136.37 40.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.664 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -143.73 142.24 30.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.184 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.8 mtp -71.72 138.77 48.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.145 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.8 t -93.73 131.27 41.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.679 0.276 . . . . 0.0 110.327 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 98.3 m -81.24 141.25 34.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.102 173.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.418 ' HA ' HD11 ' A' ' 128' ' ' LEU . 3.1 p -77.0 -3.49 39.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -86.88 7.15 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 m -69.66 150.78 46.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.278 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 60.61 22.41 12.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.497 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.4 47.69 61.82 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.574 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 5.4 mmp_? -103.9 131.14 51.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 110.819 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 m -83.0 175.38 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.686 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.584 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 5.0 p -80.24 55.67 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -133.23 148.59 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.063 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.42 101.03 9.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.463 ' HE1' HD23 ' A' ' 92' ' ' LEU . 39.8 p90 -75.58 146.95 40.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.973 0.416 . . . . 0.0 110.774 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.08 17.61 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -168.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -128.83 80.5 72.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.563 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.4 Cg_endo -85.82 -5.77 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.112 2.542 . . . . 0.0 110.499 169.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -18.27 65.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.459 -174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -74.27 -5.42 41.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.128 -0.357 . . . . 0.0 110.808 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.93 7.01 19.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.48 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m -56.36 -38.29 71.2 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.759 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 62.5 tttp -65.14 -35.71 81.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.898 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.41 -50.19 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -59.87 -39.34 84.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.398 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -63.06 -46.1 89.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.366 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 13.6 mmm180 -76.05 -15.16 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.451 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.77 6.29 42.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.479 . . . . 0.0 110.024 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 61.5 38.51 15.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.995 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.8 m -111.28 174.25 5.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.82 -128.03 2.38 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.067 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.03 151.91 73.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.646 0.378 . . . . 0.0 111.299 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 58.1 Cg_endo -80.1 102.31 1.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.666 2.244 . . . . 0.0 111.129 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -35.59 62.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.229 -174.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 m -152.76 151.54 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.903 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.832 HD13 HD11 ' A' ' 130' ' ' LEU . 51.3 tp -155.28 131.79 10.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.855 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.459 ' HA2' ' CH2' ' A' ' 71' ' ' TRP . . . 157.12 -156.05 26.9 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 17.3 Cg_exo -67.38 124.62 12.29 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.624 2.216 . . . . 0.0 111.981 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 127' ' ' SER . 50.3 t80 -138.11 120.45 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.172 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.1 mt 69.64 120.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.911 0.862 . . . . 0.0 112.143 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -87.76 57.87 4.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.823 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.69 -34.52 74.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 70.14 -12.63 0.48 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.75 0.82 . . . . 0.0 113.072 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -51.75 101.79 0.28 Allowed Pre-proline 0 N--CA 1.467 0.399 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -93.51 21.94 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.224 2.616 . . . . 0.0 112.625 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 102' ' ' GLN . 2.0 mp0 -104.54 -10.43 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.39 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -126.26 -17.59 5.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.728 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.504 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 79.6 p -92.98 146.28 23.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.371 0.605 . . . . 0.0 112.218 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.1 pt -123.27 144.53 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.463 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.11 124.94 70.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -110.2 151.81 26.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.043 0.449 . . . . 0.0 110.858 -173.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -123.08 168.19 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.925 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.55 -125.54 6.54 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.85 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -125.56 149.23 48.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.58 112.03 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.787 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.72 -12.36 27.55 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.684 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -108.63 122.91 48.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.51 43.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.217 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.1 m -67.8 -53.58 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.952 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.29 80.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 111.032 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 30.7 m -103.66 127.17 51.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.034 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -111.4 147.6 34.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -68.83 123.25 20.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -66.55 121.55 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.758 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -117.16 36.37 4.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -126.34 139.79 53.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.41 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -87.88 22.17 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.688 0.28 . . . . 0.0 111.448 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.1 mtp -132.39 29.12 4.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.598 0.237 . . . . 0.0 111.209 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 110.5 17.8 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.01 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.58 132.68 34.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.776 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.557 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 11.1 m -69.16 151.58 46.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 92' ' ' LEU . 8.7 tt -96.31 120.56 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -109.18 139.24 15.19 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.334 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 92' ' ' LEU . 62.6 tp -123.3 121.56 36.14 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.1 m -103.81 104.92 14.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.249 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 16.2 m -99.17 138.25 36.53 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.97 116.94 10.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.262 -178.345 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -127.52 148.22 50.33 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.04 7.61 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.448 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.577 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 54.7 m-85 -96.48 -10.4 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.78 136.85 96.94 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.495 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.86 -18.14 46.97 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.14 2.56 . . . . 0.0 113.185 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -113.54 20.9 15.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -79.26 96.81 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 54.2 mt-30 -76.26 120.73 21.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.755 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.95 154.94 47.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.929 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -145.54 153.5 41.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' H ' HD23 ' A' ' 84' ' ' LEU . 94.7 mt -108.03 134.01 51.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 p -65.07 164.4 13.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.424 0.63 . . . . 0.0 112.626 -173.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -77.59 47.47 0.6 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.345 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -77.51 -64.75 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -117.29 -64.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.557 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.423 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 41.8 m -147.33 174.81 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -77.08 7.03 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.999 0.428 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.5 -7.41 15.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -155.78 119.27 4.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 111.429 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.66 -159.87 29.81 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.343 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 93.9 mt-30 -74.61 131.4 40.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.988 0.394 . . . . 0.0 110.025 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 HD23 HD21 ' A' ' 128' ' ' LEU . 59.0 tp -82.81 105.89 14.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.89 128.39 54.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.93 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.23 146.28 14.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.314 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 46.5 t80 -95.89 91.12 5.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.065 0.46 . . . . 0.0 110.247 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -90.96 -172.79 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -66.89 -26.99 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.104 0.478 . . . . 0.0 110.025 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.686 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.24 -170.14 19.32 Favored Glycine 0 C--O 1.237 0.283 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.149 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.15 132.38 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -143.37 137.9 29.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.222 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.3 mtp -76.03 124.86 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.178 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.17 126.92 39.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.26 134.4 34.13 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.547 ' HA ' HD12 ' A' ' 128' ' ' LEU . 18.4 m -48.74 -54.94 12.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -81.07 56.7 2.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.736 0.779 . . . . 0.0 111.674 -174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -102.2 159.31 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.123 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 60.84 -84.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.531 0.732 . . . . 0.0 111.689 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.57 31.25 0.93 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.314 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 32.7 mmt-85 -98.93 134.85 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.125 0.488 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -112.88 -177.21 3.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.381 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -82.81 58.99 4.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 151.34 10.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -71.71 126.11 28.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.45 ' HD1' ' H ' ' A' ' 73' ' ' ASP . 26.3 t-105 -85.28 158.45 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 35.9 mt-10 -60.15 -37.75 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' H ' ' HD1' ' A' ' 71' ' ' TRP . 15.3 t70 -113.88 97.86 45.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 111.674 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 72' ' ' GLU . 55.3 Cg_endo -100.94 9.05 0.57 Allowed 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.759 2.973 . . . . 0.0 112.14 172.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 5.6 m -76.75 -3.84 40.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.898 -173.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -69.19 -16.2 63.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.438 . . . . 0.0 110.844 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.22 15.88 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -58.55 -40.68 83.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.567 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 22.1 tptm -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.738 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.94 -46.33 85.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.35 . . . . 0.0 110.131 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.2 m -57.54 -38.3 74.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.231 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -68.23 -36.54 79.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.9 mmm180 -61.47 -30.09 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.707 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 37' ' ' LEU . 8.0 mp -102.04 9.49 40.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.826 0.346 . . . . 0.0 111.32 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 57.4 45.36 20.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.018 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -112.48 -178.43 3.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.018 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.29 -164.86 36.94 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.608 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.24 149.82 90.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.535 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 60.2 Cg_endo -78.7 120.61 4.79 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.699 2.266 . . . . 0.0 112.437 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.28 -52.66 6.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 p -139.94 154.81 47.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.754 HD13 HD11 ' A' ' 130' ' ' LEU . 51.8 tp -144.32 94.58 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.12 -158.66 9.48 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.791 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.67 79.48 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 123.292 2.661 . . . . 0.0 111.8 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.597 ' HB3' HD13 ' A' ' 96' ' ' LEU . 21.5 t80 -77.37 -49.8 14.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.841 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.8 mp -106.44 144.27 33.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.26 0.552 . . . . 0.0 110.949 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.5 mttm -118.58 67.11 0.77 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.893 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -91.77 -28.88 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.995 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 91.4 m-85 61.58 20.09 10.96 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.1 m -72.39 108.6 4.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.21 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 95.5 Cg_endo -92.29 58.53 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.207 2.605 . . . . 0.0 111.997 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.94 -53.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.111 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -90.97 -0.53 57.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.3 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 32.7 p -101.08 151.34 21.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.525 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.0 pt -133.35 152.28 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.033 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.19 125.24 73.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -110.09 146.51 35.28 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.997 -174.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -109.32 162.32 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.984 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.47 -106.3 0.98 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.145 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.48 153.33 41.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.39 108.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.69 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.66 -2.29 32.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.27 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.7 t -104.78 95.83 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.225 0.536 . . . . 0.0 110.404 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.27 62.23 5.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 t -99.01 -64.31 1.05 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.711 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -108.49 88.67 2.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.177 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.0 m -108.07 138.18 44.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.759 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 p -117.84 158.17 25.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.124 0.488 . . . . 0.0 111.025 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -66.17 127.19 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.036 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 t -70.14 110.85 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.608 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -94.27 4.06 54.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.502 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -106.77 133.93 50.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.05 0.452 . . . . 0.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.0 12.2 22.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.694 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -102.06 18.8 19.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 48.8 t -66.01 115.06 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.052 -176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -87.4 135.22 33.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.126 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.607 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 12.8 m -79.28 118.24 21.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 61' ' ' SER . 33.0 tp -64.32 120.56 12.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.506 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -114.77 124.25 6.31 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.51 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.754 HD11 HD13 ' A' ' 92' ' ' LEU . 55.9 tp -103.29 117.43 34.49 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.2 m -98.41 86.84 3.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.49 147.72 26.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -58.98 128.46 37.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.7 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD12 ' HE3' ' A' ' 53' ' ' LYS . 74.6 mt . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.7 t -153.99 150.51 28.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.36 29.69 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 111.28 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' SER . 42.7 m-85 -122.93 3.37 9.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.918 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.2 m-20 -108.23 147.93 36.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.354 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 8.0 Cg_exo -73.2 -8.94 22.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.491 2.794 . . . . 0.0 113.165 -175.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -108.21 19.7 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.678 0.275 . . . . 0.0 110.978 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -96.1 118.06 31.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -109.18 134.64 51.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.61 162.83 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.47 166.84 30.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.75 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 43' ' ' LYS . 97.6 mt -107.32 147.73 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 172.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.4 p -76.92 163.18 26.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 110.773 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.51 78.25 9.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.489 0.661 . . . . 0.0 111.568 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -83.15 -53.25 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.139 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -157.62 -59.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.122 0.487 . . . . 0.0 110.221 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -124.88 150.08 46.86 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.99 -5.68 36.67 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -170.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.99 -4.22 56.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.362 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -145.68 115.34 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.186 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.32 -163.06 29.13 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.286 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -91.56 139.04 31.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.85 122.48 24.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.22 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -123.53 126.45 46.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 155.37 23.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.147 0.499 . . . . 0.0 111.856 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -85.51 108.85 18.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.757 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.918 HD12 HD13 ' A' ' 105' ' ' ILE . 94.8 mt -87.14 -167.81 2.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HE3' HD12 ' A' ' 26' ' ' LEU . 1.6 tppp? -67.78 -21.02 65.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 110.591 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.462 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.67 18.38 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.875 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.64 125.24 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.725 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -138.85 145.57 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.68 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.07 139.54 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.265 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.49 130.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 0.0 110.279 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 t -89.94 136.8 32.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -72.28 -2.48 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.73 39.3 1.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.221 1.01 . . . . 0.0 109.144 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.2 m -107.28 150.13 27.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.343 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.5 26.65 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.669 0.606 . . . . 0.0 111.719 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.17 66.11 2.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.361 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.467 HH21 HD21 ' A' ' 111' ' ' LEU . 45.1 mmt-85 -130.19 129.7 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 110.902 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -70.71 162.2 29.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.672 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -77.78 49.49 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.929 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -147.16 146.15 29.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.431 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.77 120.45 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.244 0.34 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ3' ' HB3' ' A' ' 66' ' ' ARG . 12.7 p90 -92.48 -176.24 4.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.194 0.521 . . . . 0.0 111.591 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -82.92 -29.53 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -160.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -125.78 95.33 40.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.664 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -94.38 -4.32 2.53 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.974 2.45 . . . . 0.0 112.718 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.803 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 19.1 m -72.56 -4.51 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -62.84 -19.16 63.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.233 0.54 . . . . 0.0 110.859 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.15 12.22 36.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.003 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 m -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.3 mtmp? -63.45 -35.03 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.34 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.22 -49.38 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.5 m -55.62 -42.87 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.409 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -60.78 -39.5 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.232 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 16.8 mmm180 -68.16 -19.49 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.273 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.52 9.69 42.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.624 0.25 . . . . 0.0 110.935 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 m120 63.22 41.06 8.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.349 0.595 . . . . 0.0 110.981 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -118.7 167.97 11.16 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.529 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.85 -152.04 27.92 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.939 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 5.5 m-20 -56.13 146.32 51.33 Favored Pre-proline 0 N--CA 1.465 0.296 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.803 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.9 Cg_exo -75.79 114.45 3.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.208 2.606 . . . . 0.0 111.7 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.9 mt -82.11 -37.66 25.98 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.669 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.3 m -151.14 147.7 27.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 130' ' ' LEU . 8.3 tt -151.32 110.85 3.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.48 -148.94 9.04 Favored Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.77 119.18 5.58 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.124 1.883 . . . . 0.0 111.907 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 41.2 t80 -145.09 119.5 9.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.77 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tt 57.91 90.98 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.011 0.819 . . . . 0.0 110.911 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.684 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 9.8 mtmp? -78.83 88.47 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -71.06 -13.81 62.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.008 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.487 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 69.8 t80 59.3 73.65 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.151 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 p -124.62 64.82 41.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.145 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.643 ' HB2' ' HD2' ' A' ' 121' ' ' ARG . 6.1 Cg_exo -74.25 2.64 5.96 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.942 2.428 . . . . 0.0 111.761 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -103.76 12.5 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.502 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.2 m -146.73 -22.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.2 p -87.07 149.58 24.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.076 0.465 . . . . 0.0 111.623 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.918 HD13 HD12 ' A' ' 52' ' ' LEU . 35.0 pt -130.28 146.31 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.867 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.06 117.14 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -96.33 152.83 18.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.983 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.42 161.2 20.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.87 -158.21 14.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.339 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -82.34 144.33 30.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.691 0.281 . . . . 0.0 110.518 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.467 HD21 HH21 ' A' ' 66' ' ' ARG . 61.4 tp -51.26 100.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.554 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.431 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 132.67 -26.05 3.69 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.359 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -84.6 109.02 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.185 0.517 . . . . 0.0 110.982 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -93.64 41.62 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.555 0.693 . . . . 0.0 109.337 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 p -79.85 -48.33 13.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.714 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -123.87 112.12 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 55.9 m -130.77 142.95 50.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.358 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 t -122.34 136.93 54.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -77.7 119.38 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.04 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.7 m -108.51 116.89 32.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 0.0 111.432 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' A' ' 101' ' ' PRO . 9.4 mmm180 -103.1 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -163.41 157.85 20.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -79.6 22.24 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.094 0.473 . . . . 0.0 111.974 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.2 mtt -91.95 -4.27 54.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.541 0.686 . . . . 0.0 109.441 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.0 t -88.82 136.23 33.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.736 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.684 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 55.5 m80 -118.13 131.46 56.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.5 m -64.09 129.51 40.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.676 0.274 . . . . 0.0 110.632 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.5 tt -83.74 113.15 20.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.557 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -98.45 126.0 8.74 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.778 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 92' ' ' LEU . 52.3 tp -108.42 118.59 37.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.0 m -108.33 96.23 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 34.9 m -92.53 152.32 19.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.55 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.7 tp -68.8 140.23 55.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.713 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD12 HD22 ' A' ' 52' ' ' LEU . 96.4 mt . . . . . 0 C--O 1.224 -0.282 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -113.09 151.19 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 10.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.948 -175.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -94.45 -18.09 21.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 109.947 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.51 131.83 89.73 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.43 -19.15 38.08 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.636 2.224 . . . . 0.0 112.514 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.06 -0.86 49.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.829 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -76.45 106.42 8.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 78.2 mt-30 -86.47 134.65 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.04 146.22 26.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.586 ' NH1' HH22 ' A' ' 39' ' ' ARG . 10.2 ptp180 -141.02 158.45 43.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.553 . . . . 0.0 111.054 -177.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.35 134.15 46.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 55.7 p -50.59 142.12 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.596 0.56 . . . . 0.0 111.63 -178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.586 HH22 ' NH1' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -69.63 63.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.884 176.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -86.93 -78.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.054 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -101.88 -52.15 3.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.0 110.295 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.7 t -151.1 172.0 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.646 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -65.07 -23.79 67.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 123.291 0.369 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 134' ' ' GLU . 73.3 m -93.31 -1.46 55.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -172.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.527 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -154.98 130.24 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.746 176.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.41 -161.09 33.43 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.45 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.421 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.4 tm0? -82.81 144.52 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.81 113.08 23.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 111.977 -173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -108.84 127.56 54.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.356 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.27 149.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 75.2 t80 -99.09 101.33 12.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.926 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.558 HD22 HD12 ' A' ' 26' ' ' LEU . 82.1 mt -100.28 -158.8 0.7 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.406 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -69.78 -32.48 70.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 111.244 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -83.59 -16.17 46.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.67 -141.46 13.61 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.264 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.448 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.4 m95 -82.52 128.69 34.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 111.154 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -136.57 133.41 36.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.43 178.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.427 ' HE2' ' HB ' ' A' ' 98' ' ' THR . 60.4 mtp -73.8 137.37 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.6 t -96.37 138.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.8 m -99.71 151.75 20.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.52 ' HA ' HD13 ' A' ' 128' ' ' LEU . 6.7 m -73.45 -6.29 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.746 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -87.56 22.51 2.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 109.351 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -102.64 151.64 22.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.763 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 55.4 32.56 19.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.164 0.585 . . . . 0.0 112.056 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.78 30.42 72.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.174 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -97.59 164.86 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.966 0.383 . . . . 0.0 109.968 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.5 m -147.34 -163.33 1.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -61.13 -34.37 74.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.441 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 51.7 tptt -123.41 86.57 2.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.064 0.459 . . . . 0.0 110.971 -178.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 69' ' ' LYS . 28.6 mt-30 -153.62 84.11 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.115 172.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -118.89 69.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.476 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.693 ' HG3' ' H ' ' A' ' 73' ' ' ASP . 7.9 pt-20 -105.64 -77.55 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.649 -0.42 . . . . 0.0 112.112 -175.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.693 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 13.2 t70 -117.93 98.17 51.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 122.31 -0.244 . . . . 0.0 110.978 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -98.54 -2.75 1.02 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.413 2.742 . . . . 0.0 112.834 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -66.64 -17.7 64.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.254 -171.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -62.87 -24.51 67.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.759 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 19.54 6.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.545 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.489 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.2 p -57.49 -35.51 70.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.69 -33.6 73.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.34 -54.26 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.18 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.4 m -62.21 -39.29 92.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.501 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -58.81 -48.73 80.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -71.69 -20.8 61.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.68 0.276 . . . . 0.0 111.437 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.91 4.91 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.26 48.36 6.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.623 0.725 . . . . 0.0 110.773 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 71.1 m -133.52 163.38 29.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.572 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 132' ' ' CYS . . . -73.86 177.12 45.23 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.298 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 146.52 75.02 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.417 0.627 . . . . 0.0 112.67 -172.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.763 ' HB3' HD22 ' A' ' 130' ' ' LEU . 29.6 Cg_endo -63.87 103.72 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 113.008 -175.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.453 HD12 ' HG ' ' A' ' 133' ' ' LEU . 88.6 mt -67.84 -40.99 83.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.908 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.5 m -146.43 150.0 34.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -150.93 115.31 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.66 -154.85 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.619 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.67 73.25 3.56 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.497 2.131 . . . . 0.0 112.391 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.579 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 42.9 t80 -71.38 -44.94 64.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.786 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 96.2 mt -132.02 178.38 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.67 87.93 1.96 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.281 0.562 . . . . 0.0 109.971 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.427 ' HB ' ' HE2' ' A' ' 58' ' ' MET . 20.6 m -86.34 111.97 20.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.18 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.25 69.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.4 m -130.62 76.23 77.7 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.034 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.39 60.55 7.08 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.365 2.71 . . . . 0.0 112.563 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -152.87 -35.31 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.1 m -109.14 24.31 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.0 m -118.56 152.48 35.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.322 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.417 HG21 ' CD2' ' A' ' 57' ' ' HIS . 34.6 pt -129.95 156.84 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.338 0.589 . . . . 0.0 111.806 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -123.98 125.96 71.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.9 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.47 154.52 31.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.731 0.3 . . . . 0.0 110.215 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -143.62 152.08 40.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.63 -113.58 1.37 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -111.18 131.69 54.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.739 0.304 . . . . 0.0 110.218 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.7 tp -52.02 110.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.968 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.88 -19.58 7.37 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.405 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -101.05 122.76 44.12 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.979 0.419 . . . . 0.0 110.346 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.4 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 90.4 m-85 -106.8 24.84 12.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.205 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.9 m -78.0 -13.93 59.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.577 -173.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -147.43 75.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.238 0.542 . . . . 0.0 110.047 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 15.3 m -115.39 154.44 29.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.559 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.5 m -111.17 159.45 17.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.72 136.57 33.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.941 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -108.49 118.48 36.88 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.618 0.723 . . . . 0.0 111.816 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 32.27 6.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.84 171.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -97.05 131.34 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.72 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.89 -23.3 65.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.204 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -94.8 29.06 2.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.458 . . . . 0.0 110.618 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 89.64 6.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -61.0 129.2 40.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 m -80.6 129.82 34.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.007 0.432 . . . . 0.0 111.233 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 61' ' ' SER . 17.9 tp -79.59 132.63 36.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.37 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -129.92 153.02 19.85 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.824 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 89' ' ' PRO . 3.2 tt -130.5 135.11 47.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.54 ' N ' HD21 ' A' ' 130' ' ' LEU . 25.6 m -112.5 98.86 7.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.844 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.574 ' SG ' HD23 ' A' ' 130' ' ' LEU . 10.2 m -94.1 153.73 17.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.36 133.38 46.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 177.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.448 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 2.9 mp0 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.827 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' C ' ' HG ' ' A' ' 27' ' ' SER . 94.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.418 ' HG ' ' C ' ' A' ' 26' ' ' LEU . 51.9 m -159.99 146.84 16.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -78.36 12.12 2.09 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.219 -177.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.433 ' CE2' ' HA3' ' A' ' 112' ' ' GLY . 69.6 m-85 -100.05 -3.67 31.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.435 172.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 73.1 m-20 -97.2 127.13 39.51 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.799 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 33.1 Cg_exo -59.72 -22.12 66.17 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.401 2.734 . . . . 0.0 113.845 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.52 -0.08 57.25 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.475 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -71.94 131.44 42.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.723 0.297 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -112.17 132.41 54.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.444 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.94 163.74 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.339 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -144.15 162.7 35.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -118.85 135.89 54.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -56.38 146.26 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.372 0.42 . . . . 0.0 111.036 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -72.01 78.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -96.1 -152.6 0.38 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.747 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.34 -58.89 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.294 . . . . 0.0 111.344 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.887 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 17.3 m -89.02 143.05 27.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 134' ' ' GLU . 9.9 ptpp? -70.23 -15.85 62.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.29 -172.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 3.7 t -126.28 43.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 109.48 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.887 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 0.6 OUTLIER -147.93 130.94 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.717 178.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.55 -157.12 28.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.499 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.611 ' NE2' ' HE2' ' A' ' 58' ' ' MET . 17.5 mt-30 -73.68 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -85.75 109.12 18.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.947 0.404 . . . . 0.0 110.539 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -110.61 121.12 44.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.38 155.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.945 0.402 . . . . 0.0 111.041 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -84.82 97.55 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.781 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 14.7 tp -100.33 -171.47 2.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.364 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 13.4 tmtt? -54.96 -45.67 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -89.87 24.46 2.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.67 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.54 -163.17 32.31 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.551 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.444 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.6 m95 -61.88 122.65 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.287 -176.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -140.28 149.1 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.854 ' HE3' HG23 ' A' ' 98' ' ' THR . 31.9 mtp -83.54 133.5 34.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.763 -176.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.72 129.91 36.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.797 0.332 . . . . 0.0 110.42 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -95.77 156.26 16.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 p -81.67 9.85 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -108.93 44.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.898 0.856 . . . . 0.0 108.731 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -113.08 147.63 36.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.534 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 58.8 21.63 9.22 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.336 0.655 . . . . 0.0 112.135 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.22 29.28 68.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.191 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -116.52 82.13 1.74 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -99.24 44.46 1.02 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.711 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -103.13 159.22 15.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.629 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 67.2 mttm -94.16 -14.81 25.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -172.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -168.02 143.07 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -125.77 157.79 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.73 35.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 109.208 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.6 77.53 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.282 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -84.88 -2.82 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.756 2.304 . . . . 0.0 111.676 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.732 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 16.7 m -87.23 16.48 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.986 -174.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -70.45 -17.95 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 0.0 110.21 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.12 36.49 3.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.245 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 50.3 m -56.93 -37.26 71.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.878 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.94 -22.28 65.95 Favored 'General case' 0 C--N 1.334 -0.109 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.25 -51.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -61.59 -35.98 79.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.777 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.4 mm-40 -64.24 -40.69 96.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.017 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -63.48 -28.79 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.442 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.11 -1.41 57.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.76 0.314 . . . . 0.0 110.993 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER 65.71 41.18 4.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.334 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.23 -178.05 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.65 -155.03 9.51 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.35 176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.67 157.25 87.78 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.891 0.346 . . . . 0.0 111.063 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.732 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.4 Cg_exo -73.94 113.83 3.88 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.833 2.356 . . . . 0.0 112.081 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.44 -42.53 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.285 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -147.84 151.71 36.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -152.39 126.13 8.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.17 -175.75 42.24 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.222 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.629 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 26.9 Cg_exo -61.89 103.34 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.887 2.392 . . . . 0.0 111.692 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.48 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.4 t80 -99.29 -68.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.913 -171.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.2 tp -113.64 151.68 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 111.505 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 138.3 37.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.528 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.854 HG23 ' HE3' ' A' ' 58' ' ' MET . 14.4 t -144.28 151.3 39.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -109.38 58.34 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.502 0.668 . . . . 0.0 110.904 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.5 m -143.73 79.74 13.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.739 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.19 57.69 6.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.366 2.711 . . . . 0.0 112.277 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.693 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -144.33 -41.07 0.26 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.258 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.4 p -78.18 -10.74 59.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.542 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 58' ' ' MET . 11.5 p -89.91 143.31 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.881 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.94 154.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.384 0.612 . . . . 0.0 111.959 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 mt -118.72 130.82 73.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.715 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.9 OUTLIER -118.93 153.15 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.684 -0.407 . . . . 0.0 109.948 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.2 168.48 19.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.35 -102.47 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.485 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.855 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -124.66 137.04 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -52.29 116.08 2.06 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.674 0.608 . . . . 0.0 111.548 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.442 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 108.33 -13.52 36.55 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.537 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -98.95 132.06 44.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.193 0.521 . . . . 0.0 110.762 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.567 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 94.7 m-85 -114.15 39.45 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.031 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -60.4 -44.01 96.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.175 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -150.44 94.28 2.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.006 0.432 . . . . 0.0 110.224 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.3 m -108.52 148.76 29.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 t -124.43 175.46 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -62.29 139.4 58.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.677 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -81.21 62.99 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.914 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.65 91.47 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -144.72 166.61 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.019 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -59.45 -41.12 88.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.613 0.642 . . . . 0.0 111.025 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.38 166.32 18.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.7 t -158.54 97.71 1.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.459 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -87.94 128.39 35.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -70.24 132.5 45.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.45 125.74 27.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.468 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.48 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -114.44 144.83 18.45 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.707 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.676 HD23 ' HB3' ' A' ' 89' ' ' PRO . 3.6 tt -129.26 142.4 50.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.599 ' N ' HD22 ' A' ' 130' ' ' LEU . 87.3 m -119.79 109.17 15.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 52.1 m -101.31 154.33 18.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.59 90.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.556 0.217 . . . . 0.0 111.544 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.551 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 10.8 tp10 . . . . . 0 C--O 1.251 1.161 0 O-C-N 124.078 0.861 . . . . 0.0 109.347 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.2 t -143.68 152.81 41.79 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.02 32.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.123 0.487 . . . . 0.0 111.86 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' A' ' 27' ' ' SER . 62.9 m-85 -125.28 3.41 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.954 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -109.62 138.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.38 -21.1 61.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.26 2.64 . . . . 0.0 112.673 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.53 -7.1 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -83.62 81.38 8.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.339 0.59 . . . . 0.0 109.529 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -76.6 129.23 36.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.06 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -140.5 158.08 44.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -149.82 153.73 37.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.274 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 130' ' ' LEU . 94.1 mt -107.03 124.95 50.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.497 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.508 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 43.5 p -65.74 148.27 52.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' NH1' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -75.62 60.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.159 0.504 . . . . 0.0 110.723 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -69.35 -42.36 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.67 -48.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.654 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -143.82 174.16 11.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.16 -8.05 56.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.498 -174.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 13.2 t -127.99 31.03 5.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 0.0 109.105 173.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -154.68 98.99 2.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.05 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.508 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.86 -151.48 11.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.983 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.26 142.38 39.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.47 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.54 126.52 52.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.003 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -117.45 151.2 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.614 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -82.9 101.27 10.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.702 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.16 -173.49 3.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.121 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -79.23 56.08 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 0.0 110.305 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -172.6 -40.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.737 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.52 -141.97 7.51 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.0 m95 -92.68 121.12 33.77 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.097 0.448 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.406 ' CD2' HG22 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -125.31 139.96 53.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.779 -178.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.8 mtp -80.25 131.34 35.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.503 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.88 123.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -95.68 140.35 30.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -66.68 -10.38 45.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.812 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -84.18 44.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 109.707 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -123.08 155.84 36.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.08 19.64 8.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.031 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.55 21.09 77.85 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.703 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -89.16 147.07 24.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.189 0.519 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -87.86 173.05 9.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.3 t -79.24 54.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.206 0.527 . . . . 0.0 110.649 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -147.2 167.53 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -90.51 128.77 36.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -95.17 170.1 9.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.582 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -84.7 48.97 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -167.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.551 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 10.1 t70 -170.3 90.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 171.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.05 -11.27 8.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.593 2.195 . . . . 0.0 110.972 170.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 m -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.925 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.551 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 15.2 mm100 -56.42 -24.23 43.68 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.87 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.75 7.23 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.0 p -59.76 -34.92 73.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.723 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.65 -39.12 93.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.675 178.549 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.02 -50.41 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.092 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.5 m -56.14 -39.6 72.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.666 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.42 -42.58 96.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.592 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -68.01 -25.38 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.06 7.51 37.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.672 0.272 . . . . 0.0 110.908 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.9 28.25 12.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.696 0.76 . . . . 0.0 110.561 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.46 172.19 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.977 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -138.4 4.59 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.812 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.95 155.76 90.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.408 . . . . 0.0 111.008 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.5 115.79 4.46 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.032 2.488 . . . . 0.0 111.701 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.2 -48.7 32.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.407 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.7 p -154.14 143.44 21.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.676 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.826 HD12 HD12 ' A' ' 130' ' ' LEU . 7.9 tt -141.66 145.27 34.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.98 -158.66 28.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.417 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.49 117.67 5.21 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.324 2.016 . . . . 0.0 111.366 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.684 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 65.0 t80 -137.97 123.32 19.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.8 tp 73.85 125.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.176 0.923 . . . . 0.0 111.398 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 48.8 mtmt -91.14 73.32 6.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.717 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.54 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.997 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 55.9 m-85 49.33 62.19 2.75 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.939 0.399 . . . . 0.0 111.106 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 m -121.95 89.78 48.37 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.784 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.59 50.69 3.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.141 2.561 . . . . 0.0 112.647 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.521 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 48.3 mt-30 -144.75 -62.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.151 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.9 m -81.72 -5.06 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.776 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -102.89 151.34 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.564 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' A' ' 57' ' ' HIS . 21.3 pt -124.06 151.09 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 111.092 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.9 mt -113.83 118.85 59.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.194 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 82.6 m -97.42 138.94 34.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.712 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -114.49 133.11 56.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.02 -148.7 16.83 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.452 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.31 136.03 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.985 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.84 121.42 11.1 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.448 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -18.17 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.923 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -96.6 116.64 29.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.15 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -107.12 12.91 27.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.241 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.3 m -80.07 3.27 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.186 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -149.11 81.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 40.7 m -127.08 150.16 49.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.458 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 m -125.44 157.87 35.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 64.7 t60 -56.77 130.57 46.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.232 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -73.28 101.41 3.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.034 0.445 . . . . 0.0 109.9 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 121' ' ' ARG . 6.2 tpm_? -93.23 27.11 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.523 0.678 . . . . 0.0 109.78 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -134.13 117.44 16.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.268 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.75 -41.37 92.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.787 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.1 ptp -82.65 56.77 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.382 0.611 . . . . 0.0 111.597 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -119.13 143.0 47.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.691 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -100.47 138.57 37.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.6 m -79.98 146.48 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tt -84.28 120.45 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.102 0.477 . . . . 0.0 109.902 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.684 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.83 146.42 16.07 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.826 HD12 HD12 ' A' ' 92' ' ' LEU . 63.3 tp -134.49 130.36 36.56 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.2 m -115.23 113.4 23.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.866 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.633 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 59.2 m -101.4 148.29 25.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.7 mt -69.42 94.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.059 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -133.49 160.04 38.62 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 20.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 111.578 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -111.19 -11.4 14.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.828 172.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -86.43 140.79 34.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.0 -10.8 25.0 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.939 2.426 . . . . 0.0 112.118 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.17 5.17 52.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.797 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -101.96 137.12 40.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.502 HE21 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -128.29 139.69 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.18 156.22 41.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.769 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -143.52 153.05 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.548 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.76 125.99 47.27 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.8 p -66.1 161.7 21.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.252 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.13 -67.77 0.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.346 0.404 . . . . 0.0 110.735 -174.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t 54.64 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.483 0.489 . . . . 0.0 111.473 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -115.57 -39.15 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -162.89 160.57 25.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.48 -2.35 13.68 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.682 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.649 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 48.9 t -121.22 14.58 11.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.736 0.779 . . . . 0.0 109.642 176.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -156.08 89.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.815 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.82 -163.83 20.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.386 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.515 HE21 ' HB3' ' A' ' 95' ' ' PHE . 2.4 mp0 -74.5 146.37 42.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.51 108.01 18.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.035 0.445 . . . . 0.0 110.336 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.02 127.82 56.0 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.56 154.01 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.262 0.553 . . . . 0.0 112.193 -171.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 15.6 t80 -109.42 110.49 21.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -93.01 -67.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.119 0.485 . . . . 0.0 110.13 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -162.55 -38.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -64.5 -45.65 86.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.023 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 162.55 -140.37 6.5 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -102.35 124.97 48.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.941 0.401 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -138.13 147.52 44.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.3 mtp -86.46 144.84 27.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.808 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 140.2 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.67 0.271 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 11.3 m -96.09 154.68 17.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.749 177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.582 ' HA ' HD13 ' A' ' 128' ' ' LEU . 16.4 m -83.86 41.31 0.79 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -139.1 32.46 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . 57.7 m -98.72 146.28 26.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.367 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 60.79 25.69 15.55 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.683 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.82 18.91 79.15 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.322 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -95.89 127.18 41.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.939 0.399 . . . . 0.0 110.274 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 165.99 12.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.337 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.8 t -77.88 52.39 1.04 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 110.697 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.2 162.09 29.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -84.3 104.34 14.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.494 ' CZ2' HD23 ' A' ' 92' ' ' LEU . 17.6 p90 -74.17 162.77 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.793 0.806 . . . . 0.0 112.101 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.57 -25.78 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.314 -165.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -128.79 87.34 55.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.243 0.544 . . . . 0.0 111.94 -175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.891 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.0 Cg_exo -82.13 -3.66 11.65 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.249 2.633 . . . . 0.0 111.84 174.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.544 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.5 m -59.04 -26.16 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.415 -173.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -69.03 -5.67 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.429 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.3 17.72 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.996 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 p -54.9 -38.54 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.265 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -62.21 -30.62 71.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.37 -47.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.25 -39.77 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.806 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.68 -39.5 91.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -63.92 -28.7 70.01 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.808 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -91.66 8.23 37.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.17 48.03 8.73 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.782 0.801 . . . . 0.0 110.948 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.52 179.77 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.13 -148.12 15.09 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.982 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.83 152.65 96.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.994 0.426 . . . . 0.0 111.221 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 34.8 Cg_endo -71.3 121.32 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.566 2.177 . . . . 0.0 111.875 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.1 -49.9 11.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.832 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -155.4 149.91 26.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.926 ' HG ' HD11 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -136.86 120.66 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 128' ' ' LEU . . . -178.54 -141.1 4.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.94 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.21 150.26 20.03 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.475 2.116 . . . . 0.0 112.37 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.515 ' HB3' HE21 ' A' ' 47' ' ' GLN . 0.2 OUTLIER -139.89 125.13 18.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.303 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.8 mt 59.39 -176.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.519 0.676 . . . . 0.0 111.368 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 41.3 mtmt -137.23 52.97 1.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.989 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 m -78.52 -29.91 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.181 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 59.7 m-85 52.13 27.05 4.26 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 m -82.08 105.74 5.11 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.604 0.24 . . . . 0.0 110.944 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 83.3 Cg_endo -82.36 -2.7 11.22 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.972 2.448 . . . . 0.0 113.207 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -90.4 -25.84 20.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -98.11 -15.76 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.929 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.468 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 16.9 p -106.56 158.33 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.771 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.45 157.16 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.887 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.37 123.75 67.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.879 176.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 94.8 m -96.48 150.59 20.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.469 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -124.02 167.16 14.55 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.08 -134.08 11.58 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.991 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.64 141.4 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 111.31 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.82 112.79 0.76 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.502 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.07 -15.42 23.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.6 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -94.3 22.04 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.593 0.711 . . . . 0.0 109.579 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m -90.74 15.85 10.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.37 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -160.76 81.18 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.414 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 19.0 m -134.17 148.28 50.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.5 m -137.14 162.48 33.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -68.25 129.77 40.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -61.9 120.98 11.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.441 0.463 . . . . 0.0 111.721 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -84.54 -2.67 57.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.623 0.725 . . . . 0.0 109.398 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -97.67 113.19 24.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.03 31.26 0.55 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.369 0.604 . . . . 0.0 111.946 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.1 ptp -152.07 46.9 0.77 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.9 t -69.82 129.88 40.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.881 -173.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -78.47 118.67 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.684 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 p -68.75 134.83 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 61' ' ' SER . 9.8 tt -98.51 146.49 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.439 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -147.32 168.1 28.43 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.375 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.926 HD11 ' HG ' ' A' ' 92' ' ' LEU . 59.6 tp -132.95 134.93 45.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.4 m -112.41 112.52 24.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.055 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.649 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 39.5 m -103.34 152.97 20.94 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.3 101.8 0.19 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.474 178.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 29' ' ' TYR . 3.7 p -115.81 153.74 30.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 33.72 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' SER . 72.2 m-85 -124.33 -14.98 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 36.9 m-20 -82.6 141.81 45.39 Favored Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 12.1 Cg_exo -71.48 -2.68 11.67 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.137 2.558 . . . . 0.0 112.112 176.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.28 -10.64 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.82 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -83.11 106.39 14.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.125 0.488 . . . . 0.0 110.563 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.8 mt-30 -98.41 130.5 45.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.972 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.32 155.46 42.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.962 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.8 161.19 41.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.025 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 44' ' ' CYS . 84.3 mt -107.86 132.64 53.23 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 p -65.23 158.71 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.66 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.15 -70.69 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.28 0.362 . . . . 0.0 110.037 -175.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 t 58.66 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.747 0.655 . . . . 0.0 111.49 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.83 -39.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 23.3 t -160.07 165.21 32.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.335 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.654 0.264 . . . . 0.0 111.436 -176.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.689 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 98.7 m -110.9 33.37 4.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.132 0.491 . . . . 0.0 110.148 177.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 59.8 tt0 -156.4 80.74 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.693 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.51 -161.07 16.1 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.47 140.11 32.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -82.07 113.1 19.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.281 0.562 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -116.21 127.25 54.61 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.66 149.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 111.968 -171.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 51.9 t80 -93.7 100.24 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.845 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.07 -163.84 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.646 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -55.17 -41.05 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.463 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -82.63 -26.04 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.766 0.317 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.07 -151.24 20.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.779 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -71.28 118.55 14.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 111.287 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.446 ' HD2' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -137.53 150.5 47.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.435 176.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -89.81 151.67 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.2 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.42 134.36 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 t -92.65 143.43 26.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.764 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.2 m -73.37 62.05 0.69 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.99 0.424 . . . . 0.0 111.594 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.52 51.85 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -119.69 154.13 34.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.109 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 60.84 -89.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.171 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.41 27.42 1.22 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -121.2 128.85 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -85.41 -169.73 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.462 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -78.65 51.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 0.0 110.87 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.656 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -123.36 165.31 17.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.105 179.027 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.0 89.93 6.25 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.45 ' HH2' HD12 ' A' ' 128' ' ' LEU . 49.3 p90 -72.26 170.27 14.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -171.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -93.07 33.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.664 -170.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -149.2 61.39 5.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.106 0.479 . . . . 0.0 110.187 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -87.22 -16.21 3.36 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.538 2.158 . . . . 0.0 112.187 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.476 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 13.6 m -62.43 -17.14 58.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.689 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -58.87 -31.09 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.822 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.28 11.34 28.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.804 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 p -60.75 -29.92 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -70.37 -26.11 63.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.78 -46.81 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.03 -39.88 79.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.76 -43.69 94.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -66.74 -21.63 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.598 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.72 5.74 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 59.29 49.38 9.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.731 0.777 . . . . 0.0 111.236 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.1 m -127.95 168.05 15.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.303 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.27 -160.95 12.88 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.212 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.46 153.12 62.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.385 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.476 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 21.0 Cg_exo -64.72 116.14 3.63 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.933 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD13 HD21 ' A' ' 133' ' ' LEU . 3.9 tt -75.07 -48.28 24.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -148.16 148.29 30.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.565 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -142.56 115.06 8.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.18 -132.0 2.23 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.124 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -88.66 111.11 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.66 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.618 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 27.2 t80 -119.51 104.54 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.1 tp 69.27 166.48 0.27 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.83 0.706 . . . . 0.0 110.212 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -122.85 97.54 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.972 -0.455 . . . . 0.0 110.943 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 m -79.27 -33.32 43.56 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 48.14 52.35 13.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.739 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -111.25 97.29 34.8 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.2 54.55 2.77 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.456 2.771 . . . . 0.0 112.763 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.506 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 23.2 tt0 -157.98 -59.83 0.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.594 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' HD2' ' A' ' 57' ' ' HIS . 5.2 p -84.08 -22.93 31.0 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.332 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -87.87 95.61 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.8 pt -98.85 167.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 0.0 111.855 -170.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -112.73 124.63 69.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.578 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 76.3 m -94.65 151.06 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -124.4 160.78 27.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.25 -156.27 15.67 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.47 145.08 41.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.48 109.35 0.48 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.939 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.62 -10.59 16.28 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.414 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -97.75 112.02 24.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.119 0.485 . . . . 0.0 110.129 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -102.33 20.5 16.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.976 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.3 m -76.92 1.77 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.674 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -156.66 93.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 34.4 m -122.31 133.25 54.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.953 0.406 . . . . 0.0 109.979 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -119.16 168.06 11.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.084 0.469 . . . . 0.0 111.22 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.506 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 26.7 t60 -62.6 125.33 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.362 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.3 t -65.38 121.57 15.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.403 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 11.7 tpt180 -118.68 31.12 6.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.365 0.602 . . . . 0.0 109.83 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -103.72 140.24 37.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.246 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.24 -33.51 67.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.199 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.1 ptp -107.57 136.86 46.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.1 t -146.21 112.38 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -107.2 147.21 30.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.718 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -72.09 119.85 16.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.423 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.45 HD12 ' HH2' ' A' ' 71' ' ' TRP . 26.8 tp -68.1 116.31 8.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.618 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -115.81 150.34 18.66 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.759 -175.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.7 tp -132.27 123.06 26.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 90.7 m -109.54 112.3 24.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.689 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 60.0 m -96.18 146.11 24.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 90' ' ' LEU . 56.6 mt -62.2 116.44 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 111.311 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.457 ' CD ' ' HG ' ' A' ' 42' ' ' SER . 4.2 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.993 175.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.848 0.356 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 29' ' ' TYR . 81.2 p -117.82 157.32 26.82 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.52 24.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 111.963 -177.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' SER . 58.7 m-85 -119.78 -2.69 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.047 172.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -89.94 141.53 28.18 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.161 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -69.59 -17.84 38.13 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.826 2.35 . . . . 0.0 111.54 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.04 -7.69 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.12 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -80.76 118.95 22.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.0 0.428 . . . . 0.0 110.846 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -114.08 133.55 55.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.108 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 163.31 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.906 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -142.23 149.2 39.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.007 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 130' ' ' LEU . 95.0 mt -98.89 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 168.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 26.1 p -55.28 138.36 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -74.32 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.639 0.733 . . . . 0.0 111.638 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 m -75.02 -52.52 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.088 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.33 -43.13 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.768 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -155.66 176.97 11.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.062 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -19.12 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.85 0.357 . . . . 0.0 110.418 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.0 t -117.06 25.93 10.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 109.722 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -158.79 102.03 1.66 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.062 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.91 -158.83 29.85 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.535 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 33.4 mt-30 -79.28 132.33 36.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -76.37 124.77 28.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.143 0.496 . . . . 0.0 111.272 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -122.59 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.72 153.21 22.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.712 0.291 . . . . 0.0 111.347 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -94.64 98.86 11.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD11 HD13 ' A' ' 105' ' ' ILE . 81.1 mt -90.26 -172.81 3.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.954 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.65 -40.96 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 111.145 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.5 -10.5 58.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.417 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.27 -153.24 17.99 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.875 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -72.73 133.37 44.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 137.96 27.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.748 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.463 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.8 mtp -82.44 159.05 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.334 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG21 ' HE2' ' A' ' 114' ' ' PHE . 37.4 t -110.85 136.34 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.728 0.299 . . . . 0.0 110.407 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.2 t -95.94 141.64 29.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -76.94 45.15 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.855 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -136.91 33.73 2.64 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -105.22 159.48 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.564 -174.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 58.4 28.3 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.645 174.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.34 18.4 71.41 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.955 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -97.89 134.77 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -74.36 161.92 29.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.693 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.0 m -74.48 58.17 0.75 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.337 0.589 . . . . 0.0 111.752 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -137.39 151.26 48.36 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -63.15 98.55 0.14 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.144 0.277 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -66.21 132.21 47.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 23.0 mt-10 -89.97 52.43 2.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.491 0.663 . . . . 0.0 110.755 -168.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.523 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 13.0 m-20 -135.49 53.71 9.14 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.87 175.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 6.1 Cg_exo -74.91 -23.53 13.91 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.788 2.325 . . . . 0.0 112.537 -171.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.648 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 8.2 m -61.9 -17.34 56.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.061 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.56 -19.13 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.69 0.281 . . . . 0.0 111.264 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.47 17.68 21.0 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.283 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 p -55.96 -37.28 68.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.055 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -59.3 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.388 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.12 -52.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 31.3 m -57.34 -41.37 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.442 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.63 -40.82 96.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.478 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.753 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 2.5 mmp_? -81.74 -4.83 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.656 -0.418 . . . . 0.0 112.08 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.63 11.17 37.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.534 168.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.27 33.93 13.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.452 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.58 168.06 9.75 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.751 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.89 -134.06 3.39 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.68 153.07 83.33 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.69 0.281 . . . . 0.0 110.871 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.648 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 6.2 Cg_exo -75.51 132.41 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.96 2.44 . . . . 0.0 111.672 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.13 -52.49 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.132 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -142.29 147.43 36.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.712 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.3 tt -144.63 119.76 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 171.57 -137.38 4.31 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.078 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.07 121.12 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.702 2.268 . . . . 0.0 111.787 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 32.9 t80 -138.03 117.31 12.72 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.561 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 97' ' ' LYS . 6.0 tt 70.61 141.41 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.9 0.75 . . . . 0.0 110.275 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.461 ' N ' HD23 ' A' ' 96' ' ' LEU . 49.9 mtmt -117.55 87.1 2.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.953 -0.467 . . . . 0.0 111.496 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.7 t80 50.55 62.73 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.219 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -125.03 85.0 58.44 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.866 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.72 53.26 2.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.497 2.798 . . . . 0.0 112.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -143.73 -51.18 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.538 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.1 m -79.66 -7.07 58.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.2 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 p -106.99 143.0 35.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.723 HD13 HD11 ' A' ' 52' ' ' LEU . 30.8 pt -113.15 157.99 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.463 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -118.3 119.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -95.78 147.98 23.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -126.36 143.7 51.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 114.72 -143.09 17.95 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.24 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -70.82 128.86 37.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 111.606 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.95 111.9 0.84 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.862 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.64 21.44 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.614 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.3 t -92.35 122.52 34.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.039 0.447 . . . . 0.0 110.463 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.424 ' HE2' HG21 ' A' ' 59' ' ' VAL . 96.9 m-85 -106.53 22.71 15.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.393 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m -94.36 2.87 55.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.694 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -146.52 77.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.5 m -130.61 143.26 50.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.335 -177.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -119.88 160.56 22.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.152 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.55 136.31 55.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 t -57.48 97.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.534 0.521 . . . . 0.0 111.438 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 6.1 tpt180 -111.15 21.71 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 109.401 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -94.71 172.76 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.343 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.19 -59.84 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.339 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.9 ptp -118.12 160.14 22.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.5 t -146.47 149.3 33.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.149 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -132.01 140.44 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.4 m -71.59 125.45 27.12 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 123.225 0.328 . . . . 0.0 110.636 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.0 tp -73.14 119.08 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.248 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.582 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -110.9 138.17 14.78 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.761 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.712 HD13 ' HG ' ' A' ' 92' ' ' LEU . 64.1 tp -132.57 128.02 36.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.1 m -116.57 120.13 37.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.0 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.726 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -116.36 154.2 30.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.02 89.96 0.31 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.806 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.251 1.147 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 172.061 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 121.126 0.489 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 3.5 m -89.79 154.8 19.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.24 16.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.667 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.5 m-85 -107.0 -3.31 20.23 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.389 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -95.69 139.36 21.86 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.756 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -8.62 21.14 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.982 2.454 . . . . 0.0 111.868 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.79 -12.32 51.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.88 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.12 127.06 32.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.115 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -118.97 128.38 54.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.813 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.34 164.21 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.662 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -145.67 143.72 29.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.295 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' H ' HD21 ' A' ' 84' ' ' LEU . 91.0 mt -98.06 127.29 43.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.62 ' HB ' ' NH1' ' A' ' 39' ' ' ARG . 75.8 p -58.88 147.38 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.473 0.483 . . . . 0.0 111.463 -175.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.62 ' NH1' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.16 52.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.456 179.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -70.3 -70.09 0.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.218 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -119.72 -38.86 2.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.996 0.427 . . . . 0.0 111.055 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.878 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 45.7 t -136.89 156.54 48.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.239 -177.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -60.44 -21.91 62.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.116 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 92.9 m -131.6 40.69 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 110.177 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.878 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 44.0 tt0 -152.85 100.74 2.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.536 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.98 -158.87 24.16 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.216 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.78 142.9 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 tp -88.68 108.65 19.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.826 0.346 . . . . 0.0 110.971 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 51.6 mt-10 -103.0 128.84 49.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.19 148.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.837 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -93.8 105.46 17.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.969 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.97 -158.75 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.286 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.0 -38.26 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.63 4.65 53.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 111.408 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.43 -147.53 18.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.118 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -80.98 130.9 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.818 0.342 . . . . 0.0 110.605 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.66 144.19 32.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.0 mtp -79.95 147.26 31.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.393 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.17 133.53 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.4 t -92.21 134.08 35.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -59.27 -21.7 60.03 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.269 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.431 HE21 ' HB2' ' A' ' 68' ' ' SER . 7.3 tp-100 -87.82 68.69 9.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.496 0.665 . . . . 0.0 109.839 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.0 m -127.32 158.87 36.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.08 18.65 9.21 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.541 0.526 . . . . 0.0 112.301 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.71 96.54 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.435 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -108.78 150.19 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.995 0.397 . . . . 0.0 110.322 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -55.92 132.11 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' HE21 ' A' ' 62' ' ' GLN . 32.4 t -77.55 51.78 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.245 -172.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 mtpp -124.56 -92.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.619 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 54.0 mt-30 -154.3 121.38 5.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -76.86 128.66 34.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.78 46.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.806 0.812 . . . . 0.0 110.699 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -148.06 64.15 7.98 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.528 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.99 -9.86 8.46 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.965 2.443 . . . . 0.0 113.784 -168.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.469 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.5 m -72.12 -6.39 42.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.13 -175.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.72 -23.26 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.035 0.445 . . . . 0.0 110.449 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.57 25.64 3.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 p -57.94 -43.78 86.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.888 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.667 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 29.4 mtpp -67.83 -17.02 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.74 -53.46 20.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.4 m -62.49 -38.25 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 79' ' ' LYS . 33.6 tt0 -57.78 -45.55 85.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.693 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.688 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.99 8.68 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.593 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.8 t30 63.65 49.26 3.06 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.045 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m -132.69 173.7 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.472 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.58 -167.82 29.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.74 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.2 155.57 90.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 111.681 -174.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 17.7 Cg_exo -65.32 121.6 9.08 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.257 2.638 . . . . 0.0 112.715 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.37 -51.27 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 p -145.37 149.08 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.709 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.816 HD12 HD13 ' A' ' 130' ' ' LEU . 67.8 tp -141.95 135.79 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.619 ' HA3' ' HG2' ' A' ' 70' ' ' GLN . . . 167.05 -139.36 5.69 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.954 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 61.3 Cg_endo -93.9 126.57 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.96 2.44 . . . . 0.0 112.546 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.462 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 57.6 t80 -139.76 116.15 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.9 tp 57.97 85.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.853 0.721 . . . . 0.0 111.234 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 48.9 mtmt -65.11 96.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 -28.13 68.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.43 71.03 0.55 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.363 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m -149.45 99.66 3.38 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.588 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.43 -19.39 64.14 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.211 2.607 . . . . 0.0 113.078 -174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.661 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 28.6 tt0 -84.33 -36.43 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.908 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.1 m -83.94 -17.09 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.066 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 p -111.8 150.35 30.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.903 0.383 . . . . 0.0 110.686 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 58' ' ' MET . 25.3 pt -123.06 157.34 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.16 127.09 73.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.452 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -101.1 145.87 28.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.967 0.413 . . . . 0.0 111.522 -176.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -126.04 149.52 48.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.648 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.04 -143.97 16.5 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.23 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -77.13 136.96 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.896 0.379 . . . . 0.0 110.782 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -55.51 112.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.269 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.39 -5.3 38.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.592 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.1 t -101.49 118.41 36.9 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.483 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -98.41 32.18 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.557 0.694 . . . . 0.0 109.505 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.9 m -78.89 -18.95 53.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.076 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -144.63 88.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.314 0.578 . . . . 0.0 110.278 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.2 m -124.33 154.98 39.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.028 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 m -136.68 175.41 9.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.608 0.242 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.661 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.2 t60 -58.07 139.15 55.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -68.74 95.78 0.69 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.409 0.623 . . . . 0.0 110.032 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -94.05 16.01 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.645 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 42.0 t-20 -116.13 128.59 55.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.96 -15.79 56.55 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.645 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.4 ptp -93.16 35.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.751 0.786 . . . . 0.0 109.964 177.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.46 152.18 43.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.08 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -134.94 135.21 41.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.99 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -68.86 122.74 19.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 93' ' ' GLY . 34.6 tp -72.02 125.05 26.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.079 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.462 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -119.24 138.37 13.39 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.865 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 92' ' ' LEU . 61.8 tp -125.58 129.39 49.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.8 m -110.34 106.94 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.046 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.5 m -93.16 148.89 21.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.96 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.98 101.11 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 110.285 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.225 177.034 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 120.69 0.281 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 7.9 m -95.43 153.75 17.54 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 12.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -102.52 -12.59 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.087 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -78.7 148.03 72.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.226 0.536 . . . . 0.0 111.273 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 58.7 Cg_endo -71.62 -9.07 24.42 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.521 2.814 . . . . 0.0 112.823 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.74 6.6 39.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -80.15 135.71 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.027 0.441 . . . . 0.0 111.1 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -134.47 131.7 38.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.114 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.5 160.28 39.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -142.7 166.51 24.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.591 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 90.2 mt -112.91 140.55 47.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.8 p -67.96 168.55 11.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.414 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.717 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -84.62 53.15 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.938 -172.008 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -74.1 -71.08 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.759 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -111.19 -54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 109.741 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 t -150.67 -170.84 3.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.006 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -25.84 53.83 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.313 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.3 m -101.22 18.09 20.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.96 108.25 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.966 0.412 . . . . 0.0 111.342 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.81 -162.85 35.24 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.776 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 2.2 mp0 -76.69 145.53 38.68 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.88 115.93 23.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -111.61 123.72 50.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.508 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.56 153.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.222 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -93.3 112.5 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.375 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 HD11 HD12 ' A' ' 105' ' ' ILE . 80.7 mt -111.63 -170.42 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.2 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -51.34 -47.46 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -84.75 1.66 45.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.89 -143.79 17.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.578 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -78.86 134.71 36.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.966 0.412 . . . . 0.0 111.178 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.38 135.37 23.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.778 176.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 105' ' ' ILE . 61.5 mtp -74.77 150.32 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.518 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.33 134.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.836 0.35 . . . . 0.0 110.501 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.8 t -92.79 147.09 23.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.272 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -81.29 32.75 0.34 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.778 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -131.53 31.27 4.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.734 0.778 . . . . 0.0 108.964 174.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -101.05 155.06 18.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.793 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 59.05 27.44 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.766 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 19.02 76.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.886 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -101.03 146.35 27.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.005 0.431 . . . . 0.0 110.432 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.6 p -110.35 -165.87 1.04 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 t -74.55 70.96 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.175 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.83 149.56 51.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.224 -179.097 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -104.54 85.25 2.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -65.92 163.55 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -86.05 49.95 1.88 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.845 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -161.18 80.08 2.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.234 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.84 -16.37 18.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 111.268 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.401 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 3.7 p -69.42 -3.35 14.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.104 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -54.46 -31.26 55.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.598 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.27 29.7 7.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.774 0.321 . . . . 0.0 111.635 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -58.19 -37.57 75.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.283 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmpt? -69.87 -30.0 67.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.306 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.05 -45.47 90.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -37.99 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.273 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.05 -40.11 95.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 40.6 mmt180 -63.54 -31.85 73.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.3 mt -92.84 -0.63 57.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.109 0.48 . . . . 0.0 110.958 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 57.91 44.99 19.0 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.417 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.59 -175.66 2.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.776 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.55 -166.94 39.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' HD2' ' A' ' 89' ' ' PRO . 34.7 t70 -66.23 143.24 98.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 122.642 0.377 . . . . 0.0 110.723 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.543 ' HD2' ' OD1' ' A' ' 88' ' ' ASP . 31.9 Cg_endo -67.93 116.56 4.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.766 2.31 . . . . 0.0 112.282 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 133' ' ' LEU . 3.7 tt -79.02 -50.19 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.925 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 p -144.09 143.05 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.087 -174.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 93' ' ' GLY . 6.0 tt -137.79 128.95 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 92' ' ' LEU . . . 157.91 -162.52 32.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.014 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.23 97.12 0.29 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.619 2.212 . . . . 0.0 110.839 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -91.47 -29.12 17.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.246 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 tp -146.61 157.17 43.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -128.26 74.89 1.58 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -8.06 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.585 0.707 . . . . 0.0 111.554 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 20.7 t80 55.35 45.21 25.95 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.483 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.3 m -114.03 87.3 12.68 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.725 0.297 . . . . 0.0 111.214 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 2.0 Cg_endo -82.18 50.44 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.171 2.581 . . . . 0.0 111.492 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.749 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -128.73 -58.6 1.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.051 -178.306 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m -87.24 12.77 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 p -112.4 148.72 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.506 . . . . 0.0 111.464 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.538 HD12 HD11 ' A' ' 52' ' ' LEU . 31.7 pt -121.04 154.05 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.1 131.36 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.5 t -118.97 156.31 29.81 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.101 -173.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.455 ' HB2' HD21 ' A' ' 116' ' ' ASN . 50.8 m-85 -129.07 160.51 32.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.779 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.0 -156.39 15.61 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.622 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -68.41 136.92 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.227 0.211 . . . . 0.0 110.463 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.73 114.27 1.99 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.039 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.64 -8.51 32.23 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.633 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 5.9 t -102.69 115.37 30.46 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.977 0.418 . . . . 0.0 110.502 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -93.47 41.69 1.09 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.625 0.726 . . . . 0.0 109.439 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -81.7 -43.61 18.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.515 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.455 HD21 ' HB2' ' A' ' 108' ' ' TYR . 10.6 t30 -119.26 75.49 1.05 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.209 0.528 . . . . 0.0 110.157 -176.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.7 m -108.64 158.81 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.061 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.6 m -147.53 168.2 22.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.447 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -62.38 132.31 52.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.0 t -74.08 100.82 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.216 0.531 . . . . 0.0 110.911 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -103.97 45.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.92 0.867 . . . . 0.0 108.886 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -116.9 125.28 51.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.024 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.19 -27.86 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.895 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.0 ptp -99.43 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 110.249 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.88 105.5 9.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.765 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -94.82 139.26 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -75.91 122.08 23.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.75 137.33 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.87 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -137.52 162.58 25.46 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.721 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.3 tp -131.72 139.69 49.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.6 m -119.93 104.8 10.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.638 0.256 . . . . 0.0 110.695 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.8 m -94.63 137.01 34.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 90' ' ' LEU . 89.0 mt -60.8 121.03 11.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.047 173.115 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD12 HD21 ' A' ' 52' ' ' LEU . 61.7 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -101.54 146.54 27.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -68.48 1.24 3.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.932 -178.516 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.63 -5.49 24.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.832 0.349 . . . . 0.0 110.127 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -71.03 142.52 87.71 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.04 -18.87 57.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -124.3 33.27 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.555 0.693 . . . . 0.0 110.573 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 86.0 t80 -76.68 125.89 30.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -109.95 121.04 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.028 0.442 . . . . 0.0 111.259 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.74 163.11 38.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.398 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 170.89 21.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.379 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 44' ' ' CYS . 49.1 mt -117.33 142.41 47.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.959 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 p -63.81 167.43 6.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.669 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -76.26 53.09 0.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.968 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 m -81.78 -24.15 36.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -170.15 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -145.83 170.66 16.1 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.592 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -76.19 -3.08 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -171.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.602 ' HA ' HD12 ' A' ' 37' ' ' LEU . 89.7 m -118.23 24.24 11.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 111.632 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 18.9 pt20 -161.05 120.6 2.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.301 0.572 . . . . 0.0 110.497 172.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.65 -151.61 23.25 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.024 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.01 134.97 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' HA ' HD21 ' A' ' 37' ' ' LEU . 51.5 tp -80.88 118.87 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.109 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -112.38 134.1 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.595 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.47 148.12 19.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -97.87 101.36 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.136 0.493 . . . . 0.0 110.828 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.47 HD21 HD12 ' A' ' 26' ' ' LEU . 53.4 mt -99.18 -177.24 3.55 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.44 -27.26 68.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.228 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -79.34 -4.48 51.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.713 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.5 -167.45 12.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.886 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -76.2 120.3 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -136.03 140.7 44.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.109 0.48 . . . . 0.0 111.483 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtp -72.88 145.4 46.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.211 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.19 129.37 43.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 120.758 0.313 . . . . 0.0 110.185 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.54 141.29 28.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -62.11 -15.14 43.31 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -91.84 31.5 1.22 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -88.98 155.0 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.852 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 55.53 22.78 5.4 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.416 0.687 . . . . 0.0 112.037 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.61 32.4 78.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.482 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HD2' HD13 ' A' ' 111' ' ' LEU . 3.1 mmp_? -78.54 162.46 26.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -79.24 131.69 36.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.887 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.1 t -77.63 71.63 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.299 0.571 . . . . 0.0 110.253 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -154.04 174.48 14.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.64 112.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -73.05 136.79 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.145 0.498 . . . . 0.0 110.443 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -73.62 -25.54 60.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.572 -170.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 78.99 70.93 Favored Pre-proline 0 N--CA 1.464 0.252 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.25 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.756 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 15.6 Cg_exo -70.92 -13.58 31.84 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 111.668 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.4 m -61.0 -27.89 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.791 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -66.22 -8.85 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.761 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.78 16.54 26.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.02 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 13.0 p -57.16 -33.39 67.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.905 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -52.68 -36.41 57.08 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.45 -48.53 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 m -63.15 -36.01 82.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 78' ' ' SER . 48.8 mt-30 -64.19 -43.4 95.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.953 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -67.73 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -90.79 2.62 55.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.73 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 59.54 42.49 17.43 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.829 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 92.4 m -126.01 171.31 10.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -75.66 -171.34 30.37 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.491 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.1 155.33 16.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.59 0.756 . . . . 0.0 111.969 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.1 Cg_endo -81.99 120.6 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.182 2.588 . . . . 0.0 112.257 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 133' ' ' LEU . 79.5 mt -88.0 -44.94 10.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 -177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -134.39 149.5 50.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.1 tt -156.77 123.47 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.6 -162.4 28.48 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.611 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -64.8 87.16 0.17 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.712 2.274 . . . . 0.0 111.532 176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.528 ' HB3' HD12 ' A' ' 96' ' ' LEU . 11.7 t80 -96.73 -26.51 15.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 -176.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 95' ' ' PHE . 5.8 mp -135.13 169.66 17.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.719 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -132.82 77.99 1.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -71.38 -36.45 71.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.466 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 56.36 69.78 0.71 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.365 0.602 . . . . 0.0 110.641 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.6 m -145.23 85.33 8.12 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.79 44.99 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.214 2.609 . . . . 0.0 113.281 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -131.47 -52.74 1.01 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.7 m -76.26 -29.04 57.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.602 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 130.39 35.11 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.801 0.334 . . . . 0.0 110.994 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.54 150.22 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.705 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.7 mt -111.13 115.06 48.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.2 t -100.52 154.2 18.74 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.841 -174.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -123.42 156.27 35.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.43 -148.98 16.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.872 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.96 146.91 24.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.527 HD13 ' HD2' ' A' ' 66' ' ' ARG . 55.3 tp -52.97 112.43 0.85 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.791 0.436 . . . . 0.0 111.626 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.21 -8.3 52.92 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.62 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 t -104.78 106.88 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.971 0.415 . . . . 0.0 110.293 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.29 60.96 6.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.667 0.746 . . . . 0.0 109.301 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.1 m -71.44 -55.12 8.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.877 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -136.42 104.4 5.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.807 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.4 m -106.71 144.48 33.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.187 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 m -117.39 139.74 50.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -67.41 122.79 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -50.15 113.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.722 0.639 . . . . 0.0 112.367 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -87.47 28.75 0.94 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.547 0.689 . . . . 0.0 109.466 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -132.04 136.57 47.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.502 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.19 -27.24 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.832 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.02 150.62 24.09 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.552 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.6 t -162.83 148.66 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.119 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -108.92 131.57 54.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.776 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -75.96 121.05 22.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.02 106.47 4.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.955 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -96.86 125.29 8.42 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.781 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.479 HD13 ' HG ' ' A' ' 92' ' ' LEU . 59.4 tp -113.48 130.03 56.42 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.4 m -120.69 106.8 12.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.745 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.4 m -95.53 159.01 15.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 90' ' ' LEU . 21.9 mt -63.85 89.39 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.124 0.488 . . . . 0.0 110.663 175.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.925 178.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 114' ' ' PHE . 93.6 mt . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.744 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.745 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.3 m -84.48 146.64 27.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -76.83 15.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.663 0.745 . . . . 0.0 110.404 176.552 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' SER . 88.5 t80 -106.54 -9.06 16.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.094 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.49 139.48 86.67 Favored Pre-proline 0 CA--C 1.518 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.449 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.65 -56.84 2.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.235 2.623 . . . . 0.0 113.187 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 36.36 2.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.917 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -74.77 115.56 14.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -100.31 132.91 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -148.76 154.5 39.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.654 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -130.7 153.82 48.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 0.0 110.12 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 130' ' ' LEU . 79.0 mt -111.12 126.03 54.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 40' ' ' SER . 68.4 p -72.51 170.59 14.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.275 -166.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -75.55 23.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.363 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 38' ' ' THR . 31.2 m -73.63 -28.61 61.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.862 0.363 . . . . 0.0 111.008 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 2.1 t-20 -144.79 -58.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 8.3 t -160.97 163.2 31.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -64.15 -11.26 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 23.0 t -117.66 15.49 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.407 . . . . 0.0 110.869 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 14.3 pt20 -167.6 112.91 0.71 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.311 0.577 . . . . 0.0 110.927 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.4 -152.19 11.76 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG2' HD13 ' A' ' 96' ' ' LEU . 41.1 mt-30 -71.6 133.56 45.82 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -86.05 109.64 18.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.941 0.4 . . . . 0.0 110.749 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -113.05 121.49 44.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 175.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.54 153.9 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.121 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -87.87 115.7 25.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.247 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.557 HD12 HD11 ' A' ' 105' ' ' ILE . 89.1 mt -112.39 -173.21 2.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.601 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -50.43 -50.17 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.267 0.354 . . . . 0.0 111.676 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.789 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 5.3 m-20 -69.33 -39.67 78.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 0.0 110.801 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.4 -150.37 22.46 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.592 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 91.0 m95 -71.94 135.53 46.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.12 0.486 . . . . 0.0 111.312 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.789 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 69.9 m80 -138.94 141.21 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.364 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.522 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 67.3 mtp -80.34 137.2 36.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.194 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.83 125.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.458 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.88 135.78 33.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.766 ' HA ' HD13 ' A' ' 128' ' ' LEU . 14.6 m -61.95 -21.57 64.91 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -172.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.59 32.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.7 0.286 . . . . 0.0 111.644 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 m -92.89 154.44 18.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.64 0.257 . . . . 0.0 111.049 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 57.43 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.42 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.54 39.16 0.7 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.481 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.575 ' HD3' HD13 ' A' ' 111' ' ' LEU . 10.2 mmm180 -97.55 129.04 44.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.215 -177.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.659 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 7.0 m -79.07 162.77 25.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.812 176.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.3 63.1 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 109.667 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 64.5 pttt -156.27 170.98 21.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.041 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.577 HE22 ' HA ' ' A' ' 91' ' ' SER . 5.2 tp60 -69.31 110.12 4.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -72.78 143.06 48.07 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.09 -2.8 11.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.81 98.27 4.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 0.0 111.097 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -94.15 0.63 3.05 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.158 2.572 . . . . 0.0 112.092 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.506 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.2 m -63.43 -19.8 65.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.196 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -55.16 -30.73 60.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.725 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.05 22.17 3.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.495 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 20.9 t -54.26 -49.7 68.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.61 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmmm -63.23 -26.29 68.72 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.48 -52.08 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -57.0 -41.97 79.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.676 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 78' ' ' SER . 84.1 mt-30 -67.59 -39.67 84.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -66.62 -23.79 66.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 111.072 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.57 7.94 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 61.06 41.25 14.09 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.442 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.6 m -112.87 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.403 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.46 -140.07 3.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.374 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.19 159.71 64.46 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.543 0.211 . . . . 0.0 110.494 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.8 Cg_exo -73.71 134.43 20.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.996 2.464 . . . . 0.0 112.341 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.72 -54.67 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.577 ' HA ' HE22 ' A' ' 70' ' ' GLN . 15.7 p -138.19 148.34 44.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.798 0.333 . . . . 0.0 110.824 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 130' ' ' LEU . 44.1 tp -148.61 86.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.45 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.54 -163.15 18.32 Favored Glycine 0 C--O 1.225 -0.406 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 92.49 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.318 2.012 . . . . 0.0 112.261 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.3 t80 -87.34 -25.63 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.2 mp -128.42 138.98 52.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.724 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 50.3 tttp -90.89 24.21 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.859 0.837 . . . . 0.0 109.512 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -79.3 134.82 36.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' HE2' ' HA ' ' A' ' 124' ' ' MET . 19.5 m-85 -107.84 121.12 44.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.611 178.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 m -132.33 83.69 54.22 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.6 65.52 5.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.183 2.589 . . . . 0.0 112.443 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.04 -64.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.452 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 p -87.05 -22.07 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.462 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 20.1 m -77.6 124.23 27.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 110.274 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 52' ' ' LEU . 42.8 pt -113.66 162.94 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.082 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.8 tt -128.5 130.92 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 174.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.75 155.75 34.6 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.23 -172.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -134.93 161.62 34.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.935 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.53 -125.84 4.52 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -98.77 135.41 40.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.575 HD13 ' HD3' ' A' ' 66' ' ' ARG . 56.7 tp -59.56 103.27 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 110.743 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 125.58 -14.99 7.18 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.176 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.745 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 21.1 t -115.91 123.08 47.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.049 0.452 . . . . 0.0 111.126 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 91.3 m-85 -82.3 63.23 6.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -60.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.701 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -138.65 102.62 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.0 150.84 33.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.433 -173.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -137.69 177.03 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -85.31 136.76 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.5 t -59.58 103.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -93.44 35.42 1.1 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.368 0.604 . . . . 0.0 110.111 174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -115.24 165.46 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.3 -44.22 63.05 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.501 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.504 ' HA ' ' HE2' ' A' ' 99' ' ' TYR . 25.4 ptt? -93.77 156.48 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.502 -174.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 51.6 t -177.34 130.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 27.6 m80 -120.22 136.37 54.67 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.453 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.596 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 49.5 m -66.3 118.86 10.57 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.842 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 61' ' ' SER . 7.5 tt -76.07 130.93 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.765 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -116.54 130.85 9.2 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.735 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 92' ' ' LEU . 53.6 tp -107.61 122.23 46.26 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.404 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.9 m -110.86 108.84 18.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.818 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.705 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.7 m -98.43 157.32 16.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.01 93.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.102 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 41.9 tt0 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.254 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -120.3 156.23 31.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.599 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CD1' ' HD1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -73.68 12.44 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.434 ' HD1' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-85 -110.11 -0.85 17.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.001 0.429 . . . . 0.0 110.181 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.9 125.69 54.28 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.791 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.16 -12.59 33.28 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.018 2.478 . . . . 0.0 111.987 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.97 -7.96 56.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -87.73 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.368 . . . . 0.0 110.586 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -120.15 143.87 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.29 170.62 21.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.386 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -147.29 172.33 14.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 44' ' ' CYS . 96.5 mt -115.55 132.79 56.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -58.28 149.92 23.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.583 -175.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -73.73 60.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.784 0.802 . . . . 0.0 111.058 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -87.23 -54.89 4.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.89 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -119.43 -49.6 2.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -159.97 -179.16 7.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -66.86 -30.41 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 111.598 -175.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.822 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 97.0 m -115.54 31.18 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.022 0.439 . . . . 0.0 111.096 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -157.22 100.74 1.86 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 0.0 110.217 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.72 -145.58 6.86 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.581 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.747 HE22 ' HB ' ' A' ' 98' ' ' THR . 64.7 mt-30 -104.19 139.36 39.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.36 117.12 11.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 111.554 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -120.96 121.43 38.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -108.76 152.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -171.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -97.88 95.37 7.47 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.745 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.03 -170.95 2.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -56.33 -35.96 68.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.208 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.81 -31.29 22.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.546 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.25 -147.29 17.96 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.87 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -84.82 125.39 32.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 0.0 111.467 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -135.75 140.96 44.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.69 ' HE1' ' HA ' ' A' ' 99' ' ' TYR . 78.5 mtp -80.58 141.59 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.31 124.58 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 t -88.17 135.74 33.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -70.58 -8.9 55.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.835 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.75 -9.81 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.056 0.455 . . . . 0.0 110.756 177.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -62.43 155.71 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.428 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 61.99 22.63 13.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.999 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.61 42.86 97.15 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.464 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.537 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . 22.2 mmt180 -111.54 138.87 47.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 111.249 -177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -83.78 168.06 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -78.67 66.7 4.24 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.486 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -139.56 158.55 43.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.761 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 9.8 tt0 -83.62 140.32 32.27 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.537 ' CH2' ' HB3' ' A' ' 66' ' ' ARG . 15.9 m95 -83.38 153.2 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -173.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.77 -25.48 67.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.756 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -124.83 97.82 37.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.84 -14.25 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.261 1.974 . . . . 0.0 112.186 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -73.52 1.15 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.953 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.08 -22.45 66.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 110.67 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.93 18.43 22.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -57.87 -37.33 73.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -59.35 -37.58 78.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.39 -51.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 60.8 m -61.21 -42.08 97.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.82 -35.93 82.05 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.726 -0.215 . . . . 0.0 110.52 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -27.15 67.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.018 0.437 . . . . 0.0 110.062 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.84 2.91 50.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 68.76 43.75 1.22 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.628 0.727 . . . . 0.0 110.68 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.5 m -133.79 159.24 41.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.783 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.37 -159.49 28.02 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.934 -174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.03 140.54 69.69 Favored Pre-proline 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 0.0 112.2 -174.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.83 109.18 1.03 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.386 2.724 . . . . 0.0 112.146 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.23 -32.25 70.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.62 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -148.24 143.31 26.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.245 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 6.0 tt -152.22 117.35 5.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.53 -173.6 37.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.509 -0.853 . . . . 0.0 111.84 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.64 122.2 10.49 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.945 2.43 . . . . 0.0 112.419 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -135.82 99.08 4.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.608 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.8 mt 64.58 -175.95 0.17 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.21 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -131.73 46.59 2.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.396 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.747 ' HB ' HE22 ' A' ' 47' ' ' GLN . 1.5 m -83.7 6.84 19.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.205 0.526 . . . . 0.0 110.162 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.69 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 31.1 p90 -53.66 129.16 32.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.306 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 103' ' ' SER . 24.3 m -82.14 111.0 23.89 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.25 -24.07 57.52 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.974 2.45 . . . . 0.0 113.225 -172.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.36 -19.19 28.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.3 . . . . 0.0 111.045 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 13.0 m -109.75 -6.1 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.671 -173.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 5.4 p -97.52 143.06 28.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.008 0.432 . . . . 0.0 110.804 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 pt -122.58 155.87 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 0.0 111.433 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.481 HD13 ' H ' ' A' ' 121' ' ' ARG . 49.9 mt -116.49 118.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.388 172.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 7.5 t -105.71 157.43 17.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -124.19 155.66 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.974 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.81 -140.52 14.79 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.82 145.74 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.16 108.13 0.34 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.79 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.401 ' HA3' ' CE2' ' A' ' 28' ' ' TRP . . . 103.33 -3.24 47.03 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.925 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.2 t -102.2 113.1 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.958 0.409 . . . . 0.0 110.22 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.5 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.7 m-85 -92.68 49.66 1.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.176 0.513 . . . . 0.0 110.143 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -77.01 -30.67 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -148.84 97.21 2.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.888 0.375 . . . . 0.0 110.187 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.2 m -123.23 156.94 34.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -143.58 174.89 10.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.08 145.63 45.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -52.64 115.49 1.82 Allowed 'General case' 0 C--O 1.231 0.121 0 O-C-N 123.321 0.388 . . . . 0.0 110.401 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.481 ' H ' HD13 ' A' ' 106' ' ' ILE . 9.3 tpt180 -86.96 -5.58 59.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.249 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.55 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 10.0 t-20 -123.4 151.43 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.52 -51.12 31.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.55 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.3 ptp -78.82 130.83 36.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.283 0.563 . . . . 0.0 110.067 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.1 t -152.64 139.32 18.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.216 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -110.04 124.8 52.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.3 m -63.05 140.61 58.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.57 104.7 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -89.83 136.71 13.66 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.18 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.508 ' HB3' HD22 ' A' ' 37' ' ' LEU . 56.5 tp -131.16 121.52 25.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 59.0 m -113.27 100.51 8.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.737 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.5 m -90.04 154.38 19.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 tt -75.16 81.03 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.822 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 10.0 pt-20 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.734 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.3 p -133.33 155.0 50.24 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 24.48 0.11 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 111.958 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.5 m-85 -123.59 8.15 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.632 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -93.41 128.5 42.27 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.5 -13.79 41.61 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.602 2.202 . . . . 0.0 112.696 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.91 3.66 49.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.903 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -75.98 129.37 36.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -112.22 135.97 52.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -154.88 162.53 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.903 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 44' ' ' CYS . 95.4 mt -110.78 146.3 36.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 60.2 p -63.38 158.42 20.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -75.12 55.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.9 m -80.39 -77.04 0.2 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.13 -17.04 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.746 0.308 . . . . 0.0 111.271 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.611 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 28.8 t -165.77 158.98 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HE3' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -67.73 -16.85 64.34 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.436 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.2 m -118.13 31.93 6.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.419 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.611 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 7.8 tt0 -159.58 102.39 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.147 0.499 . . . . 0.0 110.508 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -157.77 30.12 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 85.5 mt-30 -82.78 140.97 32.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 37' ' ' LEU . 54.1 tp -82.53 119.21 23.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.093 0.473 . . . . 0.0 111.177 -177.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 50.3 mt-10 -115.82 126.84 54.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.375 173.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.85 150.28 17.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -93.19 104.45 16.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 105' ' ' ILE . 79.3 mt -92.84 -177.59 4.57 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -68.4 -17.29 64.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.094 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -15.66 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 111.203 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.02 -157.94 23.09 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -79.46 135.02 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.852 0.358 . . . . 0.0 110.705 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.54 136.58 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 70.8 mtp -77.04 151.21 35.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.6 132.21 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 0.0 110.365 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.9 135.54 36.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.479 ' HA ' HD11 ' A' ' 128' ' ' LEU . 13.5 m -62.33 -13.53 29.81 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -80.09 -3.3 48.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.989 0.423 . . . . 0.0 111.068 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -67.5 153.98 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 111.396 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 56.02 27.18 10.92 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.21 175.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.62 42.37 98.8 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.817 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -108.23 145.29 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.256 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 p -83.8 163.05 20.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.816 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -79.01 53.55 1.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.198 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -142.34 156.9 45.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.97 108.21 12.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CZ2' HD23 ' A' ' 92' ' ' LEU . 11.6 p90 -69.73 159.14 34.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.07 0.462 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -67.14 -16.03 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -165.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.31 94.02 16.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.203 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.925 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.7 Cg_exo -81.09 -4.94 12.8 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.369 2.713 . . . . 0.0 112.444 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.542 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.1 m -55.17 -24.91 29.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.795 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.29 -16.39 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.13 11.36 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.556 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -57.47 -35.03 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.822 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -68.3 -28.37 67.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.59 -48.37 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 42.9 m -58.15 -40.35 81.16 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.548 177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.43 -48.54 76.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.692 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -75.81 -14.27 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 11.91 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 0.0 110.105 173.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.4 t30 64.98 51.82 1.65 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.679 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.475 ' SG ' ' HE3' ' A' ' 43' ' ' LYS . 95.4 m -143.09 177.94 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.335 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.73 -115.71 4.08 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.161 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.9 m-20 -81.95 152.17 68.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.433 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.2 Cg_endo -88.99 121.5 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.804 3.002 . . . . 0.0 111.942 177.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 133' ' ' LEU . 93.5 mt -78.46 -42.35 30.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.397 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.2 m -148.15 143.55 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.925 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -143.12 124.55 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.71 -128.96 1.85 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.05 139.8 3.78 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.582 2.188 . . . . 0.0 112.46 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.864 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.1 t80 -133.66 105.82 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.28 164.18 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.68 0.752 . . . . 0.0 111.412 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -125.11 71.65 1.2 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.244 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -78.5 -22.75 46.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.535 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 97.7 m-85 57.59 67.31 0.99 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.402 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -118.26 65.61 5.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.511 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 8.3 Cg_exo -71.37 -26.64 20.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.989 2.459 . . . . 0.0 112.429 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.83 -14.55 58.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.065 0.46 . . . . 0.0 110.638 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -102.45 -7.88 21.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.133 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.4 p -116.89 168.53 10.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.248 0.547 . . . . 0.0 111.406 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 52' ' ' LEU . 24.9 pt -127.77 147.92 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.078 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -105.27 108.52 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.01 155.61 18.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.061 0.457 . . . . 0.0 110.971 -173.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -125.02 -179.55 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.157 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.92 -130.74 10.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.878 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -110.82 148.47 32.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.66 107.82 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.915 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.76 22.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.546 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 t -100.22 114.45 27.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.168 0.509 . . . . 0.0 110.334 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -101.8 42.76 1.11 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.791 0.805 . . . . 0.0 109.0 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.3 m -103.92 14.99 29.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 -174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -170.98 79.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.183 0.516 . . . . 0.0 109.765 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.0 m -122.49 151.87 40.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.422 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 m -115.03 131.56 56.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.913 0.387 . . . . 0.0 111.231 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -71.78 111.78 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 101' ' ' PRO . 32.5 t -68.18 111.15 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.998 -173.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -96.54 15.27 22.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.95 176.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.432 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 7.6 t-20 -100.69 179.11 4.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.258 -173.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -115.66 49.93 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.154 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.432 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 24.9 ptt? -164.33 137.36 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.028 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 26.6 t 178.18 143.09 0.1 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.262 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -112.96 123.77 51.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 p -65.36 126.87 29.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.149 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 61' ' ' SER . 8.9 tt -74.76 131.25 40.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.864 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -118.64 147.34 18.5 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.803 -176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.762 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.4 tp -132.87 135.08 45.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.8 m -124.91 120.09 30.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.095 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.81 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 14.2 m -118.86 146.4 44.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.448 HD13 HD23 ' A' ' 90' ' ' LEU . 50.3 mt -78.46 147.93 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.127 178.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 134' ' ' GLU . 5.1 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.626 170.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 52' ' ' LEU . 94.6 mt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 29' ' ' TYR . 19.1 m -120.08 155.01 33.81 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 10.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' H ' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -106.75 -6.1 18.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.583 176.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 12.6 m-20 -78.1 134.64 63.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 19.9 Cg_exo -67.04 -23.16 46.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.081 2.52 . . . . 0.0 112.078 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -101.54 14.96 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.952 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -72.51 108.53 5.63 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 24.2 mt-30 -97.99 117.84 33.23 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.62 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.16 155.54 42.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.658 ' NH1' HH21 ' A' ' 39' ' ' ARG . 10.4 ptp180 -150.15 152.62 34.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.963 0.411 . . . . 0.0 110.438 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 44' ' ' CYS . 90.6 mt -97.26 139.92 32.52 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.2 p -57.83 140.42 51.83 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.342 0.401 . . . . 0.0 110.796 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.696 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -79.64 63.07 4.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.108 -175.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.2 t -61.62 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -138.62 -54.61 0.61 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.4 m -91.82 124.85 36.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.466 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -69.14 -15.19 63.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.904 0.383 . . . . 0.0 111.053 -174.123 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.756 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 0.5 OUTLIER -109.53 28.72 8.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 tt0 -154.55 97.46 2.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.103 174.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.36 -167.71 34.2 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -73.58 143.62 46.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 tp -89.67 116.04 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.97 0.414 . . . . 0.0 111.396 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.44 127.34 56.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.259 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.24 151.33 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.41 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 80.7 t80 -94.67 105.33 17.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.913 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 4.7 mp -93.41 -179.38 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -62.63 -32.47 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.412 0.625 . . . . 0.0 109.637 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.34 -38.61 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.283 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.63 -164.15 29.07 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.292 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.85 128.59 35.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.76 0.28 . . . . 0.0 110.665 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -143.52 152.81 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.501 ' HE2' HG22 ' A' ' 98' ' ' THR . 80.2 mtp -87.71 130.87 34.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.668 -176.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.6 t -87.95 129.89 38.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.89 0.376 . . . . 0.0 110.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -98.15 146.2 25.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 p -73.01 -16.01 61.52 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 53.3 tp60 -83.38 53.94 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -118.32 149.88 40.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.535 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 58.69 21.63 9.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.214 0.606 . . . . 0.0 112.358 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.74 71.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.807 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 10.5 mmt180 -78.51 151.06 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.268 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -95.13 161.41 14.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.71 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -75.01 57.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.233 0.54 . . . . 0.0 111.25 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.63 160.61 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 92.78 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.763 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.454 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 31.9 p90 -70.37 155.71 40.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -85.69 36.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.544 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 18.3 m-20 -136.54 62.41 42.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.735 0.303 . . . . 0.0 110.996 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.521 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 1.2 Cg_endo -83.94 -23.44 3.12 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.722 2.281 . . . . 0.0 112.695 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.0 m -59.24 -20.53 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.08 -15.33 62.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.694 0.283 . . . . 0.0 111.321 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.94 12.2 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.353 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -57.39 -31.03 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.901 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.5 mmpt? -62.08 -42.66 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.082 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.58 -43.7 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.7 m -59.01 -41.98 89.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.251 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -67.5 -33.96 76.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 45.4 mmt-85 -60.93 -30.64 70.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.133 0.492 . . . . 0.0 110.246 176.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.25 11.8 29.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.254 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 62.49 41.02 10.2 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.3 0.572 . . . . 0.0 111.04 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.7 m -113.95 170.73 8.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.298 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.16 -133.77 5.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.265 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 13.8 m-20 -68.67 152.27 96.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.398 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 1.5 Cg_endo -80.24 117.79 3.54 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.12 2.546 . . . . 0.0 111.427 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.71 -47.62 16.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.611 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -138.08 143.33 40.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.539 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.667 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.45 -132.9 1.94 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.08 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.61 141.03 8.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.361 2.04 . . . . 0.0 112.181 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 1.042 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 53.5 t80 -120.12 83.92 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt 63.18 -167.78 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.414 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -112.86 115.5 28.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.08 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.501 HG22 ' HE2' ' A' ' 58' ' ' MET . 14.2 m -96.94 -45.52 6.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.433 -173.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 55.13 84.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.484 0.49 . . . . 0.0 111.076 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 102' ' ' GLN . 28.9 m -153.06 78.28 5.97 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -74.17 33.41 0.35 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.046 2.497 . . . . 0.0 112.904 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 100' ' ' THR . 2.7 mp0 -111.17 -37.35 5.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.161 176.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 m -117.03 -15.55 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.067 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 14.5 p -73.12 134.39 44.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.35 . . . . 0.0 111.741 -175.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.4 pt -135.31 160.8 40.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.156 0.503 . . . . 0.0 111.103 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.9 mt -125.78 131.47 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.897 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.5 t -108.21 155.24 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.979 -173.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.03 172.5 10.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.689 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.1 -83.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.327 -0.939 . . . . 0.0 113.171 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -154.85 140.41 17.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.589 0.233 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.97 108.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.257 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.5 -9.63 24.1 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.64 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 t -107.71 109.88 21.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.138 0.494 . . . . 0.0 110.39 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -93.15 48.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.2 p -85.53 -31.2 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.672 -176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.4 93.77 2.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.115 0.483 . . . . 0.0 110.447 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.6 m -119.14 144.28 46.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.668 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.8 m -125.97 151.94 46.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.215 0.531 . . . . 0.0 111.022 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -89.08 100.37 13.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.539 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 t -81.01 109.42 15.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -80.41 65.92 5.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.414 0.626 . . . . 0.0 110.14 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.58 137.58 13.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.333 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.81 39.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -173.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.0 ptp -92.73 2.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.417 0.627 . . . . 0.0 109.409 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.0 t -109.28 146.15 34.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.998 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -101.01 134.77 43.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.187 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -57.68 141.8 47.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.73 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.6 tt -75.06 125.55 29.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.843 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 1.042 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.33 129.13 7.91 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.667 HD13 ' HG ' ' A' ' 92' ' ' LEU . 43.5 tp -110.64 130.56 55.54 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.3 m -116.29 108.27 15.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.065 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.756 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.1 m -114.77 155.11 27.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.439 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.59 90.78 0.57 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.218 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 6.0 pt-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.253 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 29' ' ' TYR . 15.4 m -149.65 155.32 40.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.52 23.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.299 0.571 . . . . 0.0 110.469 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HA ' ' HG3' ' A' ' 79' ' ' LYS . 2.4 t80 -103.78 -19.43 14.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.8 135.19 43.13 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.046 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.93 -20.81 33.54 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.865 2.376 . . . . 0.0 112.373 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.66 4.58 53.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.456 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.83 112.87 20.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.6 mm-40 -77.66 110.14 12.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.42 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.327 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -153.8 160.03 42.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.408 . . . . 0.0 110.483 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' H ' HD22 ' A' ' 84' ' ' LEU . 96.4 mt -100.06 133.56 44.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 168.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -70.13 165.92 20.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.38 -74.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.15 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t 60.39 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.524 0.515 . . . . 0.0 111.562 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -128.97 -50.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.384 0.611 . . . . 0.0 109.565 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -135.51 139.5 44.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.8 -15.99 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.123 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.727 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 60.7 m -104.86 18.64 21.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 0.0 110.083 173.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.522 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 6.9 tt0 -156.46 81.54 0.97 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.73 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.83 -155.93 7.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.012 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -91.3 138.65 31.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 tp -81.89 114.33 20.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -107.58 134.28 50.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.1 m -127.89 152.86 36.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.5 t80 -91.86 114.36 26.87 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.204 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.1 mt -117.16 -160.18 0.76 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.49 -30.93 70.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.501 0.191 . . . . 0.0 111.4 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -98.97 11.72 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.64 -159.4 15.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.759 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' A' ' 34' ' ' GLN . 85.7 m95 -83.43 117.36 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.605 0.238 . . . . 0.0 110.627 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -140.43 153.72 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.139 0.495 . . . . 0.0 111.466 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 104' ' ' SER . 70.5 mtp -76.46 131.25 38.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.191 -175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.77 133.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.492 ' HB3' HG12 ' A' ' 106' ' ' ILE . 8.4 t -93.14 141.91 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.1 p -74.05 -1.67 21.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -89.9 15.58 9.66 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.692 0.758 . . . . 0.0 110.355 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -75.9 153.57 36.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 61.36 25.37 15.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.677 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.5 24.74 69.6 Favored Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.376 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -91.81 161.09 15.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.923 0.392 . . . . 0.0 110.287 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 p -77.09 145.75 37.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.996 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -75.58 55.48 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.697 0.761 . . . . 0.0 110.266 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -142.65 175.59 9.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.603 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -94.45 118.15 31.2 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.96 174.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -83.57 -168.65 2.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.1 -49.6 75.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -172.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -115.83 103.33 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 0.0 111.069 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -91.02 2.06 4.71 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.795 2.33 . . . . 0.0 112.186 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 24.6 m -92.47 5.65 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.946 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.03 -8.51 53.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.186 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.71 24.67 7.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.603 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.6 p -54.9 -42.76 72.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.215 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG3' ' HA ' ' A' ' 29' ' ' TYR . 71.8 mmtt -58.55 -35.07 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.815 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.97 -51.37 50.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m -58.45 -41.26 84.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.465 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -62.09 -46.5 88.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.339 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -73.49 -12.12 60.68 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.592 HD22 ' H ' ' A' ' 37' ' ' LEU . 9.9 mp -98.87 6.44 46.81 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 174.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 63.29 36.61 11.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.19 164.23 12.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.9 -170.47 40.77 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.595 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 m-20 -57.17 148.4 52.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 122.935 0.494 . . . . 0.0 111.509 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 9.1 Cg_exo -71.38 113.19 3.53 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.049 2.499 . . . . 0.0 112.171 178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -85.61 -39.2 17.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.862 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.429 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 43.4 m -143.87 157.71 44.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 130' ' ' LEU . 22.3 tp -153.87 172.29 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.494 ' N ' ' HG ' ' A' ' 92' ' ' LEU . . . 117.21 -128.75 8.01 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.457 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -85.8 132.5 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.625 2.216 . . . . 0.0 112.66 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.913 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 37.4 t80 -127.18 100.76 6.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 90.2 mt 75.09 165.57 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.997 0.811 . . . . 0.0 111.239 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.416 ' HG2' ' HD1' ' A' ' 99' ' ' TYR . 40.0 ttmt -103.28 81.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -57.98 -58.56 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.663 -171.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 123' ' ' ASP . 5.3 m-85 52.75 52.86 13.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.272 0.558 . . . . 0.0 110.679 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -143.06 87.99 8.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.16 -31.21 30.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.52 2.147 . . . . 0.0 112.426 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.486 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 50.4 tp60 -82.53 40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.53 0.681 . . . . 0.0 110.718 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 m -162.61 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.067 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.1 p -99.3 150.02 22.54 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.299 0.571 . . . . 0.0 111.707 -174.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.02 147.88 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.263 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.492 HG12 ' HB3' ' A' ' 60' ' ' CYS . 70.7 mt -118.06 120.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.929 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.9 m -95.23 152.69 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -129.47 160.34 33.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.378 176.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.81 -143.53 16.37 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.694 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.72 148.56 22.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -52.87 113.41 1.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.565 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.28 -10.78 47.31 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.467 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t -89.77 107.63 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.0 110.423 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.14 35.2 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.906 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 m -80.59 -35.05 34.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.236 -175.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -126.59 100.15 6.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 38.8 m -124.18 136.3 54.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.0 m -114.53 145.69 41.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.009 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.0 t-80 -72.16 126.62 30.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -67.49 128.78 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.034 0.445 . . . . 0.0 110.94 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 6.8 tpt180 -106.39 6.44 30.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.715 0.769 . . . . 0.0 109.453 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -112.71 131.51 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.459 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.563 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.2 p30 -69.1 -28.97 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.818 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -75.72 73.59 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.305 0.574 . . . . 0.0 110.597 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.03 127.3 30.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.32 121.67 43.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.236 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.1 m -59.48 142.75 51.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.547 HD21 HD11 ' A' ' 92' ' ' LEU . 9.2 tt -73.96 120.09 19.07 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.591 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.913 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.71 149.79 16.79 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.794 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 92' ' ' LEU . 59.4 tp -133.16 121.7 22.95 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 27.2 m -108.02 96.61 6.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 4.9 m -94.07 146.53 23.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.06 98.31 0.07 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 28.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.931 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 29' ' ' TYR . 42.8 m -148.56 159.03 44.47 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 25.46 0.1 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.529 0.681 . . . . 0.0 110.646 177.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.54 ' H ' ' C ' ' A' ' 27' ' ' SER . 85.5 t80 -113.66 -12.39 12.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.076 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.38 137.87 23.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 -13.75 35.58 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.044 2.496 . . . . 0.0 113.436 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -104.18 10.42 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 111.249 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -92.19 138.14 31.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.777 0.322 . . . . 0.0 110.162 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 7.1 mm100 -118.04 136.03 53.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 111.638 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 154.48 42.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.828 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -151.02 160.28 44.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 110.641 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 44' ' ' CYS . 91.1 mt -109.67 144.45 38.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 p -72.14 159.72 33.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.136 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.79 -56.95 12.95 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.13 0.269 . . . . 0.0 110.67 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t 50.4 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.081 0.863 . . . . 0.0 112.206 172.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -125.64 -47.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.787 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 14.5 m -126.7 147.5 49.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -72.53 -10.36 59.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.595 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 93.9 m -113.01 29.23 8.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.4 168.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 52.2 tt0 -153.52 88.91 1.3 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.246 0.546 . . . . 0.0 110.043 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.44 -162.22 21.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.974 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -80.71 141.53 34.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.5 tp -85.47 117.12 24.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.671 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -111.07 131.86 54.73 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.75 153.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -97.07 109.07 21.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.616 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -114.21 -172.42 2.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.55 -32.96 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 111.17 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.61 -9.46 58.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.498 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.51 -170.65 18.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.581 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.436 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 96.9 m95 -68.01 125.97 28.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.061 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -142.13 150.87 41.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.4 mtp -79.84 142.45 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.94 137.36 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.85 141.8 28.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.727 ' HA ' HD12 ' A' ' 128' ' ' LEU . 15.8 p -65.01 -23.18 67.13 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -170.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.23 54.92 2.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.327 0.584 . . . . 0.0 110.037 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.6 m -112.53 158.45 19.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.769 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 65.94 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.152 0.908 . . . . 0.0 111.777 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.02 39.75 0.38 Allowed Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.577 HH22 HD22 ' A' ' 111' ' ' LEU . 23.4 mmt85 -125.13 158.8 32.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -129.31 -152.23 0.51 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -83.65 -12.53 55.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 110.694 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.831 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 10.7 mmpt? -81.69 131.85 35.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.25 118.06 12.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.744 ' HZ2' HD23 ' A' ' 92' ' ' LEU . 16.4 p90 -73.45 169.15 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -60.27 -55.94 27.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.486 -170.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -121.13 103.31 42.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.727 -175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -87.33 2.17 6.9 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.658 2.905 . . . . 0.0 112.254 176.623 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.818 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 m -73.09 -4.64 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -170.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -68.95 -12.31 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.167 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.49 12.75 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 p -57.64 -33.7 68.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.324 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.89 -40.11 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.438 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.53 -47.52 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -61.45 -40.02 92.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.802 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.601 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 2.4 mmp_? -68.83 -22.7 64.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.748 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.09 9.17 42.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.383 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 61.08 36.81 18.2 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.063 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.0 m -115.84 168.73 9.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.883 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.34 -150.86 10.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.53 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.42 156.86 59.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.818 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 3.8 Cg_exo -76.81 114.19 3.79 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.945 2.43 . . . . 0.0 111.506 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.24 -40.95 67.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.65 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -155.42 152.06 28.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.909 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.81 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.2 tt -148.9 126.46 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.81 -157.48 29.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.102 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.03 120.63 7.81 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.569 2.179 . . . . 0.0 111.965 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.44 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 44.4 t80 -134.58 118.66 17.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.9 mt 71.12 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.796 0.808 . . . . 0.0 111.5 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.0 mttt -86.38 65.22 8.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.229 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -74.28 -43.76 55.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 38.1 m-85 53.04 66.43 1.23 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.36 0.6 . . . . 0.0 111.697 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -123.5 80.32 54.2 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.165 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.549 ' HB2' ' O ' ' A' ' 120' ' ' SER . 50.1 Cg_endo -68.26 -10.98 30.61 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.99 2.46 . . . . 0.0 113.413 -171.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -79.1 -16.64 56.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.428 0.632 . . . . 0.0 109.73 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 m -111.08 -32.61 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.993 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.8 p -91.78 120.69 32.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.562 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.7 pt -105.5 149.72 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -108.41 123.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.9 m -99.66 144.58 28.57 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -115.25 146.25 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.94 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.73 -153.02 16.89 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.652 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.42 147.02 42.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.577 HD22 HH22 ' A' ' 66' ' ' ARG . 47.5 tp -54.27 109.2 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.118 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.38 -13.32 25.75 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.242 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -88.51 119.24 28.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 111.003 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.4 ' HD1' ' SG ' ' A' ' 107' ' ' CYS . 94.4 m-85 -106.65 25.83 10.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.338 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -64.69 -40.77 95.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.582 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -127.79 93.41 3.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.236 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 32.8 m -114.4 139.08 49.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.345 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -114.23 145.42 41.74 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.358 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.43 122.11 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 46.6 t -69.39 128.72 37.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -107.32 32.82 4.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.91 0.862 . . . . 0.0 109.08 173.327 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -134.22 135.16 42.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.274 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -85.04 17.15 3.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.768 0.318 . . . . 0.0 111.708 -172.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mtp -106.49 22.92 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.316 0.579 . . . . 0.0 110.3 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 106.04 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.563 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -77.87 127.02 31.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.898 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -58.46 135.93 57.38 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.239 0.337 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.9 tt -89.25 124.09 34.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.957 0.408 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.44 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -113.79 143.04 17.8 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.81 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.0 tp -127.63 118.65 24.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 69.3 m -105.87 110.09 22.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.266 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.672 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.7 m -99.67 153.06 19.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.45 93.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.084 0.469 . . . . 0.0 109.846 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.522 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 33.3 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.072 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 29' ' ' TYR . 5.1 m -84.95 135.8 33.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.81 -177.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 23.59 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.153 0.501 . . . . 0.0 111.69 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 27' ' ' SER . 83.0 m-85 -108.88 -17.46 13.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 174.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 11.6 m-20 -66.92 138.64 95.24 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 -178.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 24.2 Cg_exo -62.09 -25.01 77.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.331 2.687 . . . . 0.0 112.786 -176.224 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -90.66 -3.57 57.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.355 -177.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -74.04 136.42 43.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -113.55 120.44 40.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -174.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -145.59 157.91 43.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -149.6 167.47 26.26 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 130' ' ' LEU . 90.1 mt -113.07 133.4 55.01 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -63.25 152.65 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.147 -177.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.844 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -71.74 70.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.511 0.672 . . . . 0.0 110.962 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.65 -22.58 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.58 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -174.93 -36.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 109.43 -178.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.638 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 35.8 t -153.47 159.06 42.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.546 177.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.92 16.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.841 0.353 . . . . 0.0 110.686 -178.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 15.2 t -129.67 6.44 5.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.445 0.64 . . . . 0.0 109.839 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.638 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 3.7 pt20 -153.78 118.29 4.92 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.458 178.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.09 -154.93 25.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.373 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -83.14 140.49 32.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 tp -81.81 118.63 23.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.889 0.376 . . . . 0.0 111.058 -178.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.97 133.11 55.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.625 172.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.97 148.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.012 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -88.18 106.07 17.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 -178.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.1 mt -89.21 174.0 8.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -53.71 -36.12 61.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.199 0.454 . . . . 0.0 111.272 -176.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 8.5 m-20 -65.9 -62.32 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.551 176.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.49 -160.17 27.56 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.045 -177.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.433 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -74.38 123.83 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 110.752 -177.017 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.9 m80 -125.33 140.46 52.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.646 -178.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.667 ' HE3' ' HB ' ' A' ' 98' ' ' THR . 74.3 mtp -79.68 133.15 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.551 -178.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.87 127.89 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.8 140.4 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 1.17 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -97.91 38.13 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 109.648 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.9 m -107.69 149.5 28.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.526 -176.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 58.3 -106.36 0.3 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.521 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.6 17.2 13.88 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.703 ' HD3' ' HD1' ' A' ' 71' ' ' TRP . 20.9 mmt180 -99.8 152.42 20.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.039 0.447 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 69' ' ' LYS . 34.7 t -136.3 -159.05 0.92 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -178.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.2 m -80.07 39.66 0.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.443 0.639 . . . . 0.0 110.81 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 67' ' ' SER . 13.5 ptmm? -153.95 150.61 28.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.355 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -91.07 134.96 34.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.237 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.703 ' HD1' ' HD3' ' A' ' 66' ' ' ARG . 94.2 m95 -94.87 175.52 6.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -76.65 6.0 6.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -119.76 77.52 21.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.088 0.47 . . . . 0.0 111.454 -179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -87.42 -24.43 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.163 1.909 . . . . 0.0 113.521 -177.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.904 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.2 m -81.96 13.52 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.03 -15.96 62.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 111.276 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -100.28 22.81 10.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.849 0.357 . . . . 0.0 110.959 -178.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.694 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 11.7 p -56.11 -47.13 78.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.82 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -60.73 -32.7 71.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.095 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.14 -48.03 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.315 177.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.39 -40.53 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.522 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.94 -38.32 90.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.996 0.427 . . . . 0.0 110.273 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -30.75 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.628 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.87 6.93 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.418 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 64.7 33.92 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.612 -178.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.39 -171.05 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -144.45 13.46 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.48 173.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -87.82 154.32 52.84 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.809 0.338 . . . . 0.0 110.461 178.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.904 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 71.2 Cg_endo -77.24 135.56 15.24 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.091 2.527 . . . . 0.0 113.37 -175.166 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.39 -44.46 10.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.097 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t -144.92 149.36 35.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.439 -176.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 130' ' ' LEU . 64.2 tp -153.46 108.72 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 -179.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.1 -155.1 16.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.226 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.24 67.39 5.23 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.21 2.607 . . . . 0.0 111.741 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.863 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 87.2 t80 -71.88 -40.75 68.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.933 -173.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 21.4 tp -145.14 171.54 14.37 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.689 -175.333 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.446 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 43.3 mtmt -132.65 99.26 4.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.667 ' HB ' ' HE3' ' A' ' 58' ' ' MET . 11.3 m -78.05 -19.04 55.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.477 0.656 . . . . 0.0 109.887 176.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.98 34.37 19.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.305 172.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.7 m -104.66 99.79 20.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.085 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -87.48 55.22 2.82 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.905 2.403 . . . . 0.0 112.564 -178.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.622 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -137.69 -73.15 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.701 179.725 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 t -88.16 12.07 14.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.43 . . . . 0.0 110.849 -178.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.0 p -90.87 143.17 26.99 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.33 140.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.554 0.692 . . . . 0.0 111.652 -177.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 120' ' ' SER . 49.8 mt -107.23 115.78 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.46 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.47 149.5 26.13 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.397 -174.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.44 162.8 17.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.179 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.93 -153.53 17.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.328 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.32 139.35 31.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -52.6 111.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.018 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.48 -14.29 18.02 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -98.37 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.326 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -87.18 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.321 0.582 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 m -82.64 -68.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.869 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -106.21 96.62 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.647 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.8 m -116.48 133.33 56.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m -112.57 139.94 47.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.59 0.233 . . . . 0.0 110.93 -176.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -61.3 133.37 55.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.444 ' HB2' HG13 ' A' ' 106' ' ' ILE . 39.3 t -87.93 117.75 27.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.296 0.569 . . . . 0.0 111.214 -175.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -90.75 -4.87 56.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.487 173.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.49 122.11 21.65 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.29 -34.98 73.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.587 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.77 40.7 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.731 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 t -76.74 111.68 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -74.15 119.24 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -76.16 134.6 39.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -174.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.76 115.8 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.018 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.863 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.88 129.99 9.96 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.015 -178.427 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 92' ' ' LEU . 65.0 tp -118.53 132.06 56.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.9 m -119.57 110.72 17.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 27.5 m -103.5 149.23 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.732 0.301 . . . . 0.0 110.312 -179.399 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.9 136.38 56.79 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 177.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.377 -0.82 . . . . 0.0 109.112 175.056 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -125.09 161.11 27.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.789 -178.134 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.678 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -73.8 15.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.717 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.678 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 5.2 m-85 -119.94 8.83 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.419 174.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 26.3 m-20 -86.31 137.4 34.73 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.233 176.652 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.6 Cg_exo -59.12 -23.87 71.07 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.605 2.87 . . . . 0.0 114.047 -170.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -119.33 22.79 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.574 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -79.2 113.7 17.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.64 139.42 38.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.178 0.513 . . . . 0.0 111.119 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -146.21 157.44 43.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.364 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -154.86 166.85 32.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 110.064 178.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 130' ' ' LEU . 63.8 mt -114.36 119.59 37.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.849 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 12.5 p -59.94 126.81 28.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -44.22 -70.3 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 124.078 0.861 . . . . 0.0 112.48 -167.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t 66.66 -60.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.339 0.399 . . . . 0.0 110.817 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -127.49 -49.71 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.899 0.381 . . . . 0.0 109.991 176.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -143.96 174.1 11.14 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.727 -177.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -30.82 62.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.681 0.276 . . . . 0.0 111.054 -174.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 84.5 m -107.98 22.12 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.456 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -150.28 93.75 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.243 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.506 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . -170.29 -161.11 20.25 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.211 -177.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 69.1 mt-30 -90.65 132.17 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.887 0.375 . . . . 0.0 110.226 -176.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.53 127.93 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.296 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.39 134.94 54.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.615 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.58 151.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.138 177.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -92.05 106.33 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.709 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.757 HD11 HD12 ' A' ' 105' ' ' ILE . 78.9 mt -96.06 -173.47 2.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.71 177.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 37.1 ttmt -58.46 -47.27 84.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.334 . . . . 0.0 110.433 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 4.4 m-20 -65.9 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.902 178.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.61 -160.67 26.11 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.486 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.3 m95 -65.44 127.98 34.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.44 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.8 m80 -137.83 146.41 43.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.26 178.765 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.7 mtp -80.36 152.97 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 -177.313 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -102.15 130.59 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.403 177.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.16 139.45 33.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.815 ' HB2' ' HD2' ' A' ' 126' ' ' HIS . 6.5 m -70.44 -4.02 20.52 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -79.84 8.75 6.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.112 0.482 . . . . 0.0 110.177 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -83.83 153.47 24.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.987 -174.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 54.9 33.29 19.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.516 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.52 30.4 68.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.11 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -109.17 172.48 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -139.49 -144.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.093 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 40.6 m -76.22 -6.78 52.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.62 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -96.38 134.18 39.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -73.45 145.84 45.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.357 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.621 ' CZ2' HD21 ' A' ' 92' ' ' LEU . 25.4 p90 -87.39 159.78 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 110.282 176.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -73.98 -25.7 60.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.986 -164.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -119.21 94.13 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.238 -176.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.588 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 4.7 Cg_exo -76.8 -13.67 17.68 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.927 2.418 . . . . 0.0 112.465 177.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.6 p -72.17 2.62 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -175.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.96 -14.08 61.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.076 0.465 . . . . 0.0 110.176 172.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 21.11 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.685 -177.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.404 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.9 m -60.66 -32.89 72.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.707 0.289 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.568 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 72.3 mmtt -64.15 -32.4 73.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 177.274 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.97 -51.75 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.0 m -58.94 -36.7 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.476 178.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.14 -36.33 83.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 178.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 30.1 mmm180 -65.48 -26.75 68.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.515 178.202 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.19 4.19 53.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.972 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.66 32.53 18.42 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.582 -178.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.6 m -98.83 178.55 4.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.95 -162.28 32.04 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.001 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.06 154.6 86.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.606 0.241 . . . . 0.0 110.913 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.8 Cg_exo -74.51 117.07 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.653 2.235 . . . . 0.0 111.652 178.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tt -81.5 -43.82 18.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.5 -178.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.444 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 12.2 p -146.04 148.5 32.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.887 -177.116 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.883 ' HG ' HD11 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -147.14 89.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -178.654 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.73 -169.59 25.26 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.761 -177.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.429 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 24.5 Cg_exo -64.04 135.46 47.64 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.407 2.071 . . . . 0.0 112.205 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.597 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 68.5 t80 -127.5 91.9 3.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.802 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.9 mt 62.83 -171.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.156 178.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -133.89 100.59 4.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.041 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 m -79.06 -13.89 59.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.269 -179.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.448 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 74.5 m-85 63.18 58.71 1.38 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.511 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 p -117.57 73.63 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.834 0.349 . . . . 0.0 111.004 177.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.822 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . 1.8 Cg_endo -81.42 51.51 3.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.438 2.758 . . . . 0.0 112.484 -174.461 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -163.89 -49.97 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -31.42 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.658 177.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.0 p -86.33 142.1 28.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.896 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.757 HD12 HD11 ' A' ' 52' ' ' LEU . 32.6 pt -115.44 155.5 16.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.82 178.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.4 mt -123.15 113.78 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.19 176.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 59.7 m -93.26 154.65 17.89 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.0 156.42 38.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.76 -116.23 5.17 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.588 175.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -89.8 128.56 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.532 0.333 . . . . 0.0 111.69 -170.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.56 115.13 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.008 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.96 -14.74 28.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.6 t -92.01 112.08 23.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.902 0.382 . . . . 0.0 110.25 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.467 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.8 m-85 -100.4 24.51 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.225 178.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.4 p -80.25 -33.57 37.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -178.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.48 83.09 1.95 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.165 0.507 . . . . 0.0 109.831 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.0 m -124.99 143.19 51.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.351 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 t -120.29 152.6 37.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.445 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -67.05 141.89 57.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.9 t -61.97 97.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.905 -176.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -66.65 -31.71 72.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.471 0.653 . . . . 0.0 109.689 177.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -79.47 124.3 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.711 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.822 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 7.0 p-10 -77.23 -15.02 59.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 -178.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 87.0 mtp -88.06 57.9 4.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.172 0.51 . . . . 0.0 110.025 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.4 t -91.75 118.28 30.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.815 ' HD2' ' HB2' ' A' ' 61' ' ' SER . 3.1 p-80 -85.4 122.03 28.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.367 170.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 147.72 51.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.64 -173.749 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 92' ' ' LEU . 9.9 tt -93.72 129.57 40.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.642 -178.371 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.54 129.77 8.61 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.308 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.883 HD11 ' HG ' ' A' ' 92' ' ' LEU . 60.8 tp -113.15 131.27 55.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.22 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.444 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 97.6 m -120.26 109.78 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.848 0.356 . . . . 0.0 110.635 179.025 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 9.0 m -102.3 144.34 30.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.32 101.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 174.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.611 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 16.9 p -149.76 155.63 40.47 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.516 -177.364 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.26 7.66 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.204 0.526 . . . . 0.0 110.55 176.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.611 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 97.2 m-85 -86.93 -15.37 39.12 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.674 175.283 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 21.1 m-20 -79.1 124.44 84.59 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.283 177.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.53 -23.75 74.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.993 2.462 . . . . 0.0 113.143 -172.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -112.04 15.81 20.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.217 -178.015 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.429 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 66.5 t80 -56.92 128.91 39.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.473 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.6 mm100 -83.45 99.7 10.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.027 0.441 . . . . 0.0 111.189 -174.479 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.09 150.36 45.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.079 177.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -145.77 145.84 30.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.419 -179.017 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -99.93 131.42 45.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -62.33 137.05 58.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 56.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.369 0.604 . . . . 0.0 110.954 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -72.15 -57.0 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.536 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -108.34 -35.78 6.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.521 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.435 ' HG ' ' CD ' ' A' ' 134' ' ' GLU . 7.6 t -163.14 -179.83 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.679 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.01 -34.94 73.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.782 -178.126 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.4 m -104.8 29.41 6.27 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.154 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -153.51 107.75 3.07 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 111.213 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.48 -158.36 26.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.636 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -81.47 145.16 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -85.37 111.74 20.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -178.094 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 49.0 mt-10 -106.8 126.39 52.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.89 152.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.204 -179.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 84.4 t80 -89.47 98.04 11.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.1 tp -88.61 -175.75 5.04 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 10.4 mtmp? -68.59 -19.74 64.47 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.145 -177.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' OD1' HD23 ' A' ' 52' ' ' LEU . 5.1 p-10 -93.59 -7.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.15 -169.53 15.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.736 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.24 124.05 23.19 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.978 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -148.11 157.58 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 177.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.9 mtp -83.48 137.95 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.42 133.02 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 38.1 t -92.84 143.99 25.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.145 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -66.24 -15.1 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.518 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' HB2' HD13 ' A' ' 106' ' ' ILE . 10.5 mm100 -76.13 -5.25 45.82 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.748 178.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -60.79 150.69 31.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -175.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 64.51 19.21 11.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.801 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.64 54.97 16.3 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.377 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -128.98 153.62 47.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 p -88.5 155.61 19.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.784 175.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.492 ' HB3' ' HB3' ' A' ' 94' ' ' PRO . 18.6 m -78.52 76.28 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.034 0.445 . . . . 0.0 111.345 -176.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -130.58 143.74 50.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.0 121.99 18.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -78.19 167.49 21.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.409 -174.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -66.89 -46.73 73.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.867 -177.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.51 103.12 16.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.409 -177.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.33 2.92 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 123.225 2.617 . . . . 0.0 112.394 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.54 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -64.37 -13.49 51.01 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -15.72 63.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 0.0 110.064 177.011 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.77 14.66 27.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 p -57.72 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.351 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.58 -33.55 75.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.334 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.13 -47.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.863 177.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.5 m -62.01 -41.24 97.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.052 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.25 -34.95 79.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.92 -37.35 86.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.926 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -91.6 6.5 45.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 m120 60.09 45.7 11.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.47 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 -172.23 2.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.59 -134.18 6.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.514 178.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.89 150.48 69.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.798 0.332 . . . . 0.0 111.146 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 56.8 Cg_endo -78.44 101.73 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.85 2.367 . . . . 0.0 111.487 175.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 HD23 ' A' ' 133' ' ' LEU . 1.9 tt -66.1 -47.08 75.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.378 -174.566 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m -151.32 142.75 23.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -176.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 130' ' ' LEU . 10.4 tt -134.61 141.8 46.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.058 177.335 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.51 -139.62 7.0 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 68' ' ' SER . 93.9 Cg_endo -83.17 120.23 2.91 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.481 2.12 . . . . 0.0 112.107 179.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.991 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 20.2 t80 -106.4 82.61 1.76 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.115 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt 65.77 178.99 0.2 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.901 -179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 93.18 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -79.47 -10.89 59.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.737 -175.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.592 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 4.0 m-85 59.47 67.47 0.89 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.407 ' N ' ' HD3' ' A' ' 101' ' ' PRO . 1.4 p -121.5 58.68 8.51 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.385 -179.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 1.8 Cg_endo -81.01 18.73 1.25 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.256 2.637 . . . . 0.0 111.853 -174.149 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -123.77 14.67 9.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.853 0.835 . . . . 0.0 108.805 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -145.85 -30.02 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 56.9 p -72.02 130.85 41.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.946 0.403 . . . . 0.0 111.436 -178.241 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.3 pt -114.54 154.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.506 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 62' ' ' GLN . 8.6 mt -122.21 123.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.695 177.108 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 55.2 m -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.16 145.34 46.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.8 11.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.748 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -85.0 146.34 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.955 -175.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.03 111.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 178.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.33 -11.31 26.33 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.354 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.8 t -93.88 116.55 29.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.411 0.624 . . . . 0.0 110.835 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -102.89 22.08 14.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 m -69.73 -20.54 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.518 -174.066 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -148.87 103.13 3.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.963 0.411 . . . . 0.0 110.184 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 35.0 m -123.96 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.378 -177.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.3 m -125.25 144.05 50.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.871 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.59 130.33 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 t -94.65 133.85 37.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -172.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -108.78 48.12 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' A' ' 125' ' ' CYS . 6.9 t30 -113.13 112.61 24.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.949 -178.24 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.85 -39.98 87.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.847 -173.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 88.2 mtp -97.41 37.27 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -73.38 106.27 5.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.744 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.78 118.92 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.453 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 128.69 37.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 tt -76.18 125.25 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.991 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.91 139.45 13.91 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.176 -178.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.698 HD11 HD13 ' A' ' 92' ' ' LEU . 53.1 tp -124.03 126.05 45.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.1 m -107.31 104.62 14.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.231 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.715 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 34.0 m -100.13 140.86 33.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.448 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.434 HD23 HD12 ' A' ' 90' ' ' LEU . 94.9 mt -67.35 146.34 54.18 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.435 ' CD ' ' HG ' ' A' ' 42' ' ' SER . 25.6 mt-10 . . . . . 0 C--N 1.316 -0.857 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.193 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' TYR . 48.9 m -120.34 161.55 20.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.117 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -76.75 21.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.41 0.624 . . . . 0.0 110.759 175.839 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 3.1 m-85 -110.81 -11.34 14.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 174.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.41 136.33 60.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.28 -179.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.96 -3.86 14.55 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.94 2.427 . . . . 0.0 112.107 -176.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.41 4.96 26.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.013 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -77.96 103.73 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 9.8 mm-40 -91.76 129.45 37.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.494 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 149.1 31.79 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 178.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 84' ' ' LEU . 35.8 ptt180 -144.28 159.66 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.201 0.524 . . . . 0.0 110.097 -179.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.5 mt -97.85 120.66 38.63 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 172.113 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -52.98 154.35 2.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.806 0.691 . . . . 0.0 111.523 -173.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.665 ' NH1' ' HZ1' ' A' ' 43' ' ' LYS . 16.7 mmm180 -42.61 -64.2 0.65 Allowed 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.238 0.961 . . . . 0.0 110.545 -177.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 t 50.25 -91.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.979 0.8 . . . . 0.0 112.231 173.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.99 -42.32 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.344 0.592 . . . . 0.0 109.409 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -153.36 141.08 20.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.665 ' HZ1' ' NH1' ' A' ' 39' ' ' ARG . 53.0 mtmt -84.87 12.55 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -169.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.427 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 29.3 t -112.07 3.16 17.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.762 0.792 . . . . 0.0 109.192 171.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -155.39 87.15 1.1 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.039 175.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.4 -158.51 8.97 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.36 -174.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -79.98 134.52 36.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.123 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -72.61 107.38 5.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -112.05 121.14 44.16 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.239 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.13 148.92 10.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.645 -176.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -97.31 103.57 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.177 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.2 -179.5 5.66 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 173.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 4.7 ttpm? -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.503 0.668 . . . . 0.0 109.571 177.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.37 7.29 36.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.513 -174.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.06 -170.76 13.45 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.324 174.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.408 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 98.5 m95 -80.62 129.64 34.64 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 122.327 0.251 . . . . 0.0 110.381 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -139.96 141.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.472 177.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 mtm -86.16 136.68 33.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.1 t -82.84 126.04 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.7 143.55 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -60.83 -20.2 61.26 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.078 -176.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -91.18 42.45 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 152.63 20.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 54.68 -137.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.82 26.54 22.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.833 174.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -92.9 110.51 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.877 0.37 . . . . 0.0 110.262 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.411 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 18.2 m -70.94 165.12 24.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.004 175.243 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -74.51 64.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.383 0.611 . . . . 0.0 111.768 -177.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 70' ' ' GLN . 40.7 ttmt -158.11 165.15 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.697 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.448 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 9.8 tt0 -78.5 139.35 38.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 175.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.411 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 72.2 m95 -110.3 155.5 22.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.252 -178.045 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -83.34 40.51 0.72 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -169.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -162.74 74.05 2.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.968 0.413 . . . . 0.0 110.206 174.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.778 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.1 Cg_endo -83.81 -9.96 9.66 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.79 2.327 . . . . 0.0 111.71 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.99 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 43.4 m -72.28 -5.64 37.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.743 -175.447 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -72.44 -13.78 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.078 175.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.24 26.56 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 11.9 p -56.52 -53.46 57.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.898 -177.071 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 40.8 ttmt -63.13 -27.98 69.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.345 -176.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.5 -50.12 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.68 -33.99 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.39 178.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.5 mm-40 -65.91 -37.92 87.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.887 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.4 mmm180 -65.5 -23.18 66.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.949 0.404 . . . . 0.0 110.674 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 36' ' ' ARG . 93.6 mt -101.94 10.56 39.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.545 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 58.65 44.18 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.78 0.8 . . . . 0.0 110.862 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -115.1 169.7 8.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.698 174.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.72 -140.23 1.74 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.756 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.83 150.74 86.37 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.99 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.1 Cg_endo -79.91 115.98 3.37 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.876 2.384 . . . . 0.0 112.007 177.49 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 133' ' ' LEU . 88.0 mt -90.47 -45.84 8.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.018 -173.515 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -133.53 141.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 0.0 111.588 -172.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 74' ' ' PRO . 4.8 mt -139.68 84.05 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.068 177.308 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.67 174.93 32.93 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 119.289 -0.728 . . . . 0.0 111.612 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.46 123.57 13.1 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.488 2.125 . . . . 0.0 111.796 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.883 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -98.41 -76.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.538 -172.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 79.0 mt -137.3 170.09 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.461 0.648 . . . . 0.0 111.718 -176.065 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -113.54 96.49 5.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.164 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.2 p -108.19 36.93 2.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.953 -174.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 64.38 103.6 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.328 0.585 . . . . 0.0 110.159 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.488 ' HB ' ' OG ' ' A' ' 104' ' ' SER . 19.0 p -128.88 67.64 78.08 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -87.72 -11.97 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.084 1.856 . . . . 0.0 111.939 176.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -153.59 -32.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.558 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -61.25 -30.73 70.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.733 -172.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.488 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 56.4 p -95.15 124.53 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.157 0.503 . . . . 0.0 111.118 -175.588 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.2 pt -104.53 142.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.563 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.6 mt -105.86 118.3 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.2 t -94.88 139.66 31.0 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.809 -177.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -109.9 156.72 20.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.601 -175.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.34 -129.76 9.21 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.669 178.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -114.38 143.98 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -175.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.2 114.85 1.61 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.801 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.65 10.42 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.644 -177.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.2 t -94.84 113.3 25.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.78 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.8 19.99 19.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.251 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 m -67.73 -34.01 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.687 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -141.28 94.05 2.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.143 0.497 . . . . 0.0 110.304 -179.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -117.08 142.18 47.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.7 m -121.99 155.83 34.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.828 0.347 . . . . 0.0 111.344 -173.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -79.7 134.15 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 -177.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -91.14 128.33 36.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 13.0 tpt85 -98.2 5.13 48.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.466 -178.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -106.48 129.1 54.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.11 56.3 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.647 0.737 . . . . 0.0 110.534 -174.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -124.54 11.72 8.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 174.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.41 138.58 31.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.179 -178.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -105.55 130.43 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -65.42 133.37 51.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.901 0.381 . . . . 0.0 110.524 -178.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.92 124.48 23.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.883 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.28 133.14 11.31 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.536 -175.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 37' ' ' LEU . 67.3 tp -117.0 116.04 26.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.2 m -101.85 109.13 20.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.016 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.84 154.9 18.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.458 HD21 HD11 ' A' ' 90' ' ' LEU . 19.0 mt -60.67 113.14 2.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.009 0.433 . . . . 0.0 110.085 175.37 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' OE1' ' HB3' ' A' ' 44' ' ' CYS . 36.5 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.075 -174.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 94.5 mt . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.002 0.43 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 29.8 m -90.31 151.59 21.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.48 22.48 0.17 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.05 0.452 . . . . 0.0 112.069 -176.734 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' A' ' 27' ' ' SER . 82.9 m-85 -108.29 -15.69 14.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.963 172.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.05 136.75 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 178.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.74 -11.5 21.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.486 2.124 . . . . 0.0 111.459 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.24 -9.87 55.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.242 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -80.63 134.27 35.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.175 -178.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -121.03 132.56 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.022 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.09 157.44 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.056 178.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -139.3 145.78 39.54 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.67 125.5 49.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -61.37 128.31 35.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.3 -18.11 56.94 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.762 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t 30.64 -86.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.897 1.279 . . . . 0.0 113.814 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -105.6 -41.69 5.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.252 0.549 . . . . 0.0 109.926 177.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.534 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 13.6 t -147.56 146.45 29.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.774 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -57.28 -22.84 44.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -167.131 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.799 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 79.7 m -113.37 26.11 10.71 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.607 -177.233 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 1.6 pt20 -155.27 100.21 2.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.152 175.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.88 -156.72 13.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.554 -175.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -75.87 136.79 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.191 -0.299 . . . . 0.0 110.191 -177.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -89.82 112.17 23.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 -178.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.09 128.87 55.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.45 151.37 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -94.55 112.15 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.892 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 HD13 ' A' ' 105' ' ' ILE . 84.3 mt -94.04 -168.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.994 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -61.56 -27.26 68.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.1 -68.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.841 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.29 -158.35 9.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.122 -178.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.426 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.1 m95 -85.07 130.08 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.854 0.359 . . . . 0.0 110.466 -178.088 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -139.14 151.56 46.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.025 0.44 . . . . 0.0 110.971 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE1' ' OG1' ' A' ' 98' ' ' THR . 75.4 mtp -85.52 131.47 34.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.628 -175.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.72 126.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 62' ' ' GLN . 11.3 t -92.13 142.83 27.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.462 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -80.07 32.85 0.27 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.548 -178.137 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 60' ' ' CYS . 25.3 mm-40 -120.99 24.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.434 174.4 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.9 m -92.78 157.26 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -175.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 60.57 14.4 4.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.176 175.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.28 66.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.998 -177.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -107.74 136.97 46.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 t -76.24 154.97 34.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 -177.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -77.62 72.37 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 111.56 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -144.46 161.67 38.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -63.13 105.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.277 0.361 . . . . 0.0 110.199 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -77.47 136.49 38.36 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 58.03 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 111.265 -172.21 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -169.58 69.55 0.65 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.643 172.651 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.47 -14.78 17.93 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.042 1.828 . . . . 0.0 111.665 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -70.18 -16.72 63.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.252 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.34 -35.21 67.35 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 170.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.66 10.88 38.82 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.238 -175.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 26.5 t -58.92 -35.35 72.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.72 -29.78 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.89 -50.5 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 87' ' ' GLY . 80.6 m -56.89 -42.14 79.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.133 177.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.67 -49.64 75.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.872 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -64.19 -28.13 69.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.392 -178.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mp -90.92 9.98 28.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.937 -178.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.77 42.35 8.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.845 0.831 . . . . 0.0 110.413 177.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.01 168.27 13.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.291 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 81' ' ' CYS . . . -75.55 -179.82 45.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.847 177.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.08 156.05 51.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.818 -175.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 73.1 Cg_endo -81.81 120.49 3.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 113.383 -177.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 133' ' ' LEU . 72.4 mt -76.0 -54.03 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.832 177.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.8 m -143.03 159.82 41.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 -174.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.729 HD11 HD12 ' A' ' 130' ' ' LEU . 46.1 tp -144.6 126.86 15.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.212 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.06 -148.16 12.39 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.278 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.2 123.22 7.61 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.285 1.99 . . . . 0.0 112.035 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.912 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 45.2 t80 -105.01 -53.73 2.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.353 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.541 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 97.4 mt -139.74 173.35 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.025 -179.687 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.0 86.98 2.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.842 0.83 . . . . 0.0 110.026 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.455 ' OG1' ' HE1' ' A' ' 58' ' ' MET . 1.4 m -69.77 -23.23 63.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.23 -176.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.457 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 1.3 t80 57.69 35.23 25.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.87 170.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 m -110.95 96.58 30.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.766 -177.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 12.7 Cg_exo -70.7 67.89 2.26 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.459 2.772 . . . . 0.0 112.525 -178.56 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.695 ' HG3' ' HE1' ' A' ' 119' ' ' HIS . 63.1 tt0 -174.18 -50.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.559 177.22 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -70.4 -36.96 74.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.1 p -85.78 143.69 28.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.421 HD13 HD11 ' A' ' 52' ' ' LEU . 29.8 pt -127.7 157.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.072 -177.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 59.4 mt -114.47 121.0 65.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.468 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 78.2 m -98.41 151.65 20.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.196 -176.172 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -126.31 160.25 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.17 -129.18 7.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.82 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -104.05 151.94 22.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.1 tp -56.34 104.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.35 0.406 . . . . 0.0 110.883 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.57 -5.76 26.29 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.785 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.7 t -101.19 118.78 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.151 0.5 . . . . 0.0 110.289 177.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.468 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 80.7 m-85 -105.72 28.26 7.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 27.8 m -57.8 -33.12 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -174.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -147.11 114.27 6.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.048 0.452 . . . . 0.0 109.962 176.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 56.6 m -120.07 151.18 39.41 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -116.04 143.61 45.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.042 0.448 . . . . 0.0 111.5 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.695 ' HE1' ' HG3' ' A' ' 102' ' ' GLN . 13.9 t60 -61.61 119.93 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.756 176.719 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -97.41 109.91 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.958 0.408 . . . . 0.0 110.856 -176.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.53 -6.61 58.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.362 0.601 . . . . 0.0 109.574 173.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -63.49 125.64 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.515 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.26 -22.3 52.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.3 ttt -77.33 81.76 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.299 0.571 . . . . 0.0 109.532 174.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.7 t -141.29 135.68 30.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.717 -178.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -117.69 125.66 51.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.9 m -65.72 127.68 32.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.308 . . . . 0.0 110.66 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.98 128.57 36.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.957 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.912 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.26 132.03 8.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.028 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.729 HD12 HD11 ' A' ' 92' ' ' LEU . 58.1 tp -109.81 127.38 54.63 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.9 m -105.69 91.29 3.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 -177.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 19.8 m -87.25 159.35 18.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.068 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.553 HD12 ' HG ' ' A' ' 90' ' ' LEU . 4.0 mp -69.27 85.86 0.4 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.799 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 8.4 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.301 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' ' 115' ' ' SER . 69.1 mt . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -114.25 163.85 14.69 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.978 -175.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -77.54 13.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.701 -176.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.79 -9.86 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.571 173.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.31 142.89 55.16 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.508 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.88 -24.66 24.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 123.232 2.621 . . . . 0.0 113.413 -172.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -109.16 16.99 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -75.34 123.69 25.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.87 119.98 37.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.631 -175.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.22 160.88 39.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 179.364 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -157.67 173.93 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.282 179.319 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.12 138.91 51.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -60.65 146.09 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HG3' ' H ' ' A' ' 40' ' ' SER . 16.5 ptt85 -47.1 -59.81 2.89 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.45 0.469 . . . . 0.0 111.596 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.562 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 24.4 t 57.53 -100.7 0.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 176.064 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.73 -37.74 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.2 t -153.66 143.26 21.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.259 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.46 8.54 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -169.65 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 43.5 t -106.06 -8.36 17.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.33 0.586 . . . . 0.0 110.64 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.578 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.6 OUTLIER -148.89 96.84 2.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 0.0 110.05 179.129 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.34 -157.61 9.32 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.926 -175.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.492 ' OE1' ' HE3' ' A' ' 58' ' ' MET . 58.5 mt-30 -80.81 139.09 36.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -179.787 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.38 120.3 24.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.963 0.411 . . . . 0.0 111.293 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 47.7 mt-10 -110.55 127.42 55.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.536 174.302 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.455 HG11 ' CE2' ' A' ' 114' ' ' PHE . 30.6 m -119.53 152.0 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 179.062 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -93.09 112.43 24.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.881 -177.457 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD13 ' HD1' ' A' ' 57' ' ' HIS . 80.5 mt -103.12 -172.89 2.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.347 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.734 ' HD2' ' H ' ' A' ' 53' ' ' LYS . 3.0 mptp? -59.17 -42.13 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 0.0 110.558 -179.201 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.12 -49.04 68.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.76 -152.12 22.96 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.841 -176.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.8 132.1 35.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 -177.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' HD1' HD13 ' A' ' 52' ' ' LEU . 25.3 m170 -136.39 148.49 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.392 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE3' ' OE1' ' A' ' 47' ' ' GLN . 49.1 mtp -79.9 132.47 36.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.221 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.37 128.67 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.935 0.398 . . . . 0.0 110.448 178.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.81 151.31 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 77.5 p -65.68 -26.74 67.91 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -169.658 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.89 10.69 3.91 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.035 0.384 . . . . 0.0 112.035 -176.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -66.48 137.11 56.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 62.19 10.83 4.01 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.939 178.333 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 28.99 23.65 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.264 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 61' ' ' SER . 41.9 mmt-85 -70.99 129.65 39.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.171 0.486 . . . . 0.0 109.994 173.292 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -105.3 -174.88 2.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.0 -178.089 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 t -76.97 48.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.44 0.638 . . . . 0.0 110.534 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -164.19 127.81 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.708 178.114 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' A' ' 91' ' ' SER . 9.7 tt0 -60.1 127.98 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.901 0.381 . . . . 0.0 110.822 -178.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -70.9 150.53 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.61 -15.33 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -169.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -129.4 94.18 33.6 Favored Pre-proline 0 C--N 1.326 -0.433 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.753 176.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -87.88 -5.74 6.83 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.942 2.428 . . . . 0.0 111.092 170.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.81 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 52.7 m -75.09 -8.9 57.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.178 -173.72 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.33 -27.22 45.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 177.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.47 25.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.576 -175.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.455 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 63.4 m -53.96 -39.41 65.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.535 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.633 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.36 -51.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.34 -34.6 78.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.636 -178.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -54.61 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.862 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -63.99 -22.12 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.499 -175.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -86.38 3.26 44.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.828 179.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t30 63.3 51.93 2.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.843 0.83 . . . . 0.0 110.207 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.9 m -121.55 -80.4 0.62 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.534 178.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.17 -132.22 2.75 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.256 -177.058 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.12 151.72 75.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.81 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 9.7 Cg_endo -86.74 105.31 0.68 Allowed 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.162 2.575 . . . . 0.0 111.163 173.78 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.98 -46.04 22.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.229 -174.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.472 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 14.5 m -140.09 144.01 36.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.776 -175.434 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.606 ' HG ' HD12 ' A' ' 130' ' ' LEU . 2.5 tt -146.67 85.29 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.55 -165.01 15.68 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.465 -177.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.51 111.03 1.98 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.796 2.33 . . . . 0.0 111.863 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.878 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.4 t80 -98.74 -62.99 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.404 -174.748 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.629 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 92.3 mt -123.35 -174.14 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.779 -176.307 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.45 81.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -77.81 -34.17 52.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.472 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 50.21 61.81 3.0 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -115.61 87.03 16.49 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 171.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.79 55.66 3.34 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.649 2.899 . . . . 0.0 113.085 -172.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -147.08 -48.95 0.18 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.378 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m -90.32 -8.04 51.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.945 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.8 p -92.99 140.81 29.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -125.67 154.65 34.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 177.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.44 125.56 71.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.21 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.4 m -95.18 124.81 39.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -174.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.18 153.57 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.4 -149.49 16.94 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.971 -179.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -93.5 140.33 29.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.9 tp -51.34 120.62 5.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.173 -178.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.85 -12.14 41.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.101 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -101.01 113.75 27.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.455 ' CE2' HG11 ' A' ' 50' ' ' VAL . 85.9 m-85 -101.02 40.0 1.33 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.41 ' HA ' ' H ' ' A' ' 26' ' ' LEU . 14.5 p -52.19 -60.52 3.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.919 -174.341 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -146.9 84.27 1.6 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 45.4 m -77.6 132.86 38.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.55 177.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -99.87 157.97 16.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 111.008 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -60.38 128.74 38.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.531 177.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -65.67 118.23 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -123.81 68.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -127.93 152.17 48.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.935 -172.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.44 -36.77 45.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.991 175.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.5 ttp -135.22 125.13 25.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.11 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.3 t -168.03 137.61 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -107.41 166.74 10.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.687 -175.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 m -77.98 129.02 34.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.41 123.38 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.878 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -111.96 118.54 4.77 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.323 -176.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.606 HD12 ' HG ' ' A' ' 92' ' ' LEU . 60.1 tp -103.03 117.42 34.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.037 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.0 m -100.16 103.33 14.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.527 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 81.7 m -89.14 154.83 19.84 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.71 91.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 111.199 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.652 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 38.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.6 m -90.05 153.55 20.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.733 -175.694 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -78.18 35.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 111.195 178.356 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' SER . 31.8 m-85 -134.07 1.94 3.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.039 171.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 m-20 -88.77 139.04 29.33 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 17.3 Cg_exo -66.38 -26.14 48.42 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.421 2.747 . . . . 0.0 113.329 -171.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -92.79 -1.49 56.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.996 -177.452 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -82.02 128.65 34.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.058 -179.451 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -111.0 138.55 47.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -149.16 151.87 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 7.5 ptp180 -145.49 170.68 15.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.881 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 130' ' ' LEU . 93.2 mt -111.14 143.35 42.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.605 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 p -63.49 161.03 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.358 0.412 . . . . 0.0 110.829 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -54.62 -61.89 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 t 53.17 -99.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 123.816 0.697 . . . . 0.0 111.014 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -126.49 -15.34 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.513 0.673 . . . . 0.0 109.749 177.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.632 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 40.7 t -167.68 139.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.22 -176.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 50.0 mtpt -68.45 -10.89 58.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.082 -179.188 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 12.8 t -98.92 5.0 47.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 111.022 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.632 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 1.6 pp0? -158.87 116.89 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.338 0.59 . . . . 0.0 110.809 177.325 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.83 -163.07 34.03 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.914 -177.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.98 142.94 41.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.1 tp -81.13 119.41 23.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 -176.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 44.5 mt-10 -111.59 126.2 54.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 172.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.15 150.96 13.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.162 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -89.21 107.98 19.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 105' ' ' ILE . 93.4 mt -88.28 -173.8 4.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.31 176.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -61.78 -35.72 78.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.872 0.368 . . . . 0.0 111.095 -175.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -93.97 -32.2 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.09 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 119.718 -1.229 . . . . 0.0 113.531 -177.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.8 m95 -78.03 135.55 37.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.45 -176.478 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -141.25 142.95 33.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.698 176.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.665 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 55.8 mtm -77.92 141.55 38.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 -178.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.94 132.16 35.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 110.616 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.5 t -86.38 136.29 33.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 t -76.48 12.76 1.14 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -171.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -117.39 39.75 3.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.952 0.882 . . . . 0.0 109.491 176.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.7 m -99.08 162.05 13.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.217 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 60.9 -91.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.523 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.92 37.48 1.34 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 176.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -116.57 167.36 11.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 t -152.18 -154.83 0.56 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.1 m -78.34 58.27 2.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -135.25 159.27 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.404 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -129.26 133.01 47.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.188 0.518 . . . . 0.0 111.342 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -106.78 153.8 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.658 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -84.5 42.28 0.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.47 83.25 5.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -92.09 7.51 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.066 2.51 . . . . 0.0 111.722 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -59.89 -24.25 64.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.218 -173.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.47 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 12.4 mm100 -53.98 -27.25 30.34 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.9 35.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 111.699 -176.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -53.86 -55.45 26.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.567 -178.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -64.24 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -175.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.85 -59.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.819 -176.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.33 -39.33 90.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -67.62 -47.64 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.303 -175.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -73.52 -20.16 60.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 31.8 tp -67.81 -56.29 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 175.429 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 84' ' ' LEU . 9.6 t30 158.12 -33.37 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.092 0.87 . . . . 0.0 110.586 -175.067 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 133' ' ' LEU . 57.9 m -85.08 179.29 7.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.229 -169.43 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.06 -132.16 4.34 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.757 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.68 156.93 88.14 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.36 136.38 9.93 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.346 2.697 . . . . 0.0 112.341 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD22 HD23 ' A' ' 133' ' ' LEU . 73.1 mt -91.44 -49.58 6.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.353 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p -143.0 145.35 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -178.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tt -141.85 131.97 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.91 -163.78 32.42 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.89 99.68 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.475 2.117 . . . . 0.0 111.632 177.345 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.854 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 59.9 t80 -86.63 -59.63 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.314 -177.146 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 82.8 mt -125.01 161.14 27.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.65 178.078 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -116.51 68.55 0.73 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.57 0.7 . . . . 0.0 110.447 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.5 m -66.62 -29.82 69.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.19 177.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.3 t80 48.65 62.15 2.71 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.743 0.652 . . . . 0.0 111.101 175.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 p -123.23 85.05 51.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.565 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.476 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 39.6 Cg_exo -58.08 -24.08 64.25 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.133 2.555 . . . . 0.0 112.514 -178.344 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.547 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 53.5 tt0 -67.11 -31.69 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.882 179.652 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -102.0 -33.7 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.7 p -87.2 156.21 19.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.483 0.658 . . . . 0.0 111.874 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.779 HD12 HD11 ' A' ' 52' ' ' LEU . 36.2 pt -127.09 152.64 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.633 178.522 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.16 134.95 59.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.373 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -118.61 158.58 25.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -174.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -124.97 152.4 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.627 -177.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.7 -152.43 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.474 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.79 133.95 36.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.7 tp -52.49 100.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.522 0.514 . . . . 0.0 111.715 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.456 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 130.88 -20.68 4.78 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.0 t -107.45 115.62 30.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.893 0.378 . . . . 0.0 110.459 -178.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.526 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 91.3 m-85 -86.57 53.33 2.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.67 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.4 p -71.55 -31.54 67.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.779 -174.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -151.0 95.79 2.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.976 0.417 . . . . 0.0 110.451 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 2.9 m -115.25 162.01 17.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.975 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -147.96 165.72 29.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.547 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 57.8 t-80 -57.73 133.2 55.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.926 177.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 22.6 t -65.45 123.26 19.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.6 . . . . 0.0 111.1 -174.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.592 ' O ' ' HD2' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -131.02 4.21 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.086 177.81 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -71.51 141.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.695 -172.141 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.71 -17.27 64.77 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.848 -176.292 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 mtt -132.25 119.05 20.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.0 t -143.84 112.34 6.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.201 0.524 . . . . 0.0 110.948 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -111.45 125.8 54.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.03 133.49 55.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.065 0.459 . . . . 0.0 111.647 -176.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 tt -77.71 130.18 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.139 -176.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.854 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.14 145.31 18.67 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.229 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 37' ' ' LEU . 54.4 tp -131.38 136.34 47.96 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.615 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.0 m -121.73 113.77 20.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 176.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.2 m -103.21 159.78 15.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.701 -177.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.488 HD23 HD22 ' A' ' 90' ' ' LEU . 38.5 mt -73.19 117.21 14.65 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.397 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.602 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.8 tt0 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 171.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.1 t -104.44 153.69 20.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -1.13 15.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.024 0.44 . . . . 0.0 110.302 175.536 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.64 -28.14 33.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.431 175.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.4 m-20 -60.59 134.44 91.73 Favored Pre-proline 0 C--O 1.231 0.092 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 11.3 Cg_exo -70.59 -24.31 26.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.069 2.513 . . . . 0.0 112.308 -175.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.21 -2.11 56.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -77.99 102.52 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.433 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.9 mm100 -85.3 131.38 34.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.783 -178.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.03 150.66 37.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.881 177.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 166.54 32.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.992 0.425 . . . . 0.0 110.205 -179.679 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 130' ' ' LEU . 46.4 mt -110.42 138.25 47.06 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.603 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -67.43 165.89 15.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.87 -73.11 0.09 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.138 0.273 . . . . 0.0 110.806 -174.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t 65.98 -74.6 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.499 0.5 . . . . 0.0 111.285 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -147.73 -32.52 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.445 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 50.2 m -145.58 145.9 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.639 ' H ' ' HD3' ' A' ' 43' ' ' LYS . 2.6 mppt? -65.29 -20.27 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.902 -169.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 86.6 m -117.32 24.16 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 175.23 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 66.8 mt-30 -141.1 79.04 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.31 -152.49 6.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.281 -176.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.97 143.59 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.66 110.04 13.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.488 . . . . 0.0 110.416 -178.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -111.56 124.45 52.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.45 152.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.016 0.436 . . . . 0.0 111.005 -175.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 61.8 t80 -105.38 114.33 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.506 -178.086 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.57 -167.0 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.9 mptp? -57.15 -36.48 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 0.0 110.559 178.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -85.75 7.94 21.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.811 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.45 -154.64 20.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.382 173.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -81.78 122.04 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 111.071 -178.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -139.96 150.45 44.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.379 176.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.45 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.1 mtp -81.13 154.01 26.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.14 -178.722 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.5 t -101.69 129.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.27 141.92 30.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -67.85 -10.91 56.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.264 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.24 8.14 34.69 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.889 -0.507 . . . . 0.0 111.22 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.1 m -70.31 155.8 40.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 60.12 27.92 17.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.056 175.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.88 34.08 87.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.516 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -102.94 158.02 16.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.963 0.411 . . . . 0.0 110.549 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.418 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 2.2 p -101.31 155.97 17.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.457 176.678 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.9 m -79.82 76.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 111.874 -174.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HE3' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -154.31 169.86 22.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.812 175.177 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -59.29 118.14 5.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.887 0.375 . . . . 0.0 110.666 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -78.97 139.0 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.574 178.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.43 -9.73 54.92 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -130.02 77.96 75.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 110.672 -177.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 3.0 Cg_exo -75.32 -18.85 17.74 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 111.407 177.357 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -20.11 61.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.24 -178.115 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -56.07 -29.04 59.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.65 0.262 . . . . 0.0 111.499 176.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.75 22.2 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -173.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -57.02 -39.93 75.71 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.98 -31.41 72.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.321 -177.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.34 -51.2 71.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 22.4 m -63.75 -35.77 81.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.548 178.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.14 -45.53 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -74.65 -18.13 60.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.76 7.42 44.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 177.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.67 48.57 1.4 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.644 175.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.4 m -140.65 179.76 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 176.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -152.61 27.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.961 -173.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.41 145.79 98.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 123.399 0.679 . . . . 0.0 111.222 -175.751 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -71.62 109.57 2.67 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.068 2.512 . . . . 0.0 112.092 177.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.17 -47.15 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.945 -178.025 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -141.28 158.9 43.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -175.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.9 tt -155.17 109.29 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -176.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.76 -149.54 10.52 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.79 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.68 87.34 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.342 2.028 . . . . 0.0 111.839 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.897 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 42.8 t80 -71.18 -46.37 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.655 -175.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.0 164.41 29.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.646 -176.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -120.49 82.93 1.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.294 0.569 . . . . 0.0 109.796 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -80.22 -24.92 39.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.063 -177.178 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.431 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 73.3 m-85 57.88 27.05 14.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.451 177.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 p -90.7 104.69 9.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 111.504 -178.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 122' ' ' ASN . 56.3 Cg_endo -72.06 -31.15 12.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.723 2.282 . . . . 0.0 112.941 -176.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.598 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 64.0 tt0 -82.8 -34.72 26.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.279 0.561 . . . . 0.0 110.571 -177.349 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 m -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.834 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -91.23 141.66 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.215 -174.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 58' ' ' MET . 21.4 pt -116.72 158.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.439 178.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -110.07 112.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.961 179.027 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -93.68 153.13 18.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.96 159.93 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.45 -177.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.33 -129.8 9.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.233 -178.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -120.12 146.36 46.03 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.0 tp -51.15 103.03 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.017 0.823 . . . . 0.0 111.242 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.72 -25.07 3.8 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.925 -178.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t -100.07 110.73 23.02 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.0 110.238 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -100.88 23.41 10.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.028 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.6 m -66.09 -21.07 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.293 -174.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -145.15 104.61 3.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.372 . . . . 0.0 110.775 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 51.9 m -127.1 148.58 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.013 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 m -127.36 143.92 51.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.9 0.381 . . . . 0.0 111.263 -177.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.598 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 46.6 t-80 -63.99 132.91 52.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.371 176.536 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 t -77.68 139.9 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -112.13 13.04 20.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.886 177.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 101' ' ' PRO . 93.7 m-20 -115.22 130.06 56.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.201 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.22 29.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.51 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.454 ' H ' ' C ' ' A' ' 122' ' ' ASN . 41.5 ttm -136.51 100.36 4.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.064 179.245 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.8 t -142.57 135.01 27.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.802 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.56 120.08 32.05 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 174.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.0 m -69.27 120.52 15.22 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 123.509 0.506 . . . . 0.0 110.538 -176.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.18 127.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.897 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -124.43 140.3 12.48 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -175.724 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.544 ' HB3' HD21 ' A' ' 37' ' ' LEU . 39.3 tp -118.8 118.17 30.85 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.268 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.9 m -97.18 93.45 6.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.175 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.715 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.6 m -91.16 142.66 27.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.692 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 112.01 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.918 0.39 . . . . 0.0 110.488 177.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.707 -177.972 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 m -114.75 151.55 33.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.09 21.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 112.009 -177.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -120.96 1.79 10.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 172.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.78 137.38 41.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -47.44 -47.59 17.37 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.343 2.695 . . . . 0.0 113.69 -171.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.82 26.05 8.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.932 -172.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.88 140.19 55.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.23 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 20.7 mt-30 -120.87 125.46 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.109 -175.137 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.528 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.86 151.55 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 -178.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -148.84 170.79 17.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.491 179.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.6 mt -115.82 144.0 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -58.98 162.15 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.051 -177.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -82.92 51.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 m -83.94 -73.95 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.264 -176.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -102.07 -64.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.527 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -149.77 -179.62 7.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.577 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 8.6 ptpp? -58.74 -38.41 78.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -169.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.734 ' HA ' HD12 ' A' ' 37' ' ' LEU . 72.4 m -112.49 28.27 8.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -176.625 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -145.5 90.14 1.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.15 -179.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.42 -162.75 29.11 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.064 -178.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 1.9 mp0 -78.87 148.53 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 110.406 -178.621 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.5 tp -87.24 120.01 28.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.79 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -114.57 123.13 48.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.565 174.178 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.24 149.63 13.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.116 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.409 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.4 t80 -81.55 92.75 6.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.698 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.781 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.8 tp -81.31 -167.92 1.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.794 -176.071 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 60.9 tttm -76.65 41.74 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.674 0.75 . . . . 0.0 110.816 -177.694 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 52' ' ' LEU . 5.5 p-10 -167.81 -48.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.844 178.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.89 -160.16 30.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.015 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m95 -72.07 121.12 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.1 -178.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -133.07 140.53 47.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.549 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.537 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 61.1 mtp -72.12 153.35 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 178.345 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.6 t -103.94 130.85 53.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.903 0.382 . . . . 0.0 111.18 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.0 t -83.84 144.2 29.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 128' ' ' LEU . 66.9 p -68.68 -16.13 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.734 -174.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -82.93 12.76 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 110.687 -178.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.1 155.05 41.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -176.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.21 18.48 9.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.542 178.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.45 71.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.351 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -85.31 148.28 26.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.133 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 p -76.33 159.88 30.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -74.72 42.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.7 mptp? -120.31 130.47 54.46 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -78.59 120.45 23.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.076 -178.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -94.14 128.4 40.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 51.2 mt-10 -78.54 44.15 0.51 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -171.239 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.59 67.73 80.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.481 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.5 Cg_endo -86.96 0.78 7.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.361 2.708 . . . . 0.0 112.583 -175.726 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -60.46 -15.64 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.01 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.38 -17.08 64.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 177.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.94 16.32 21.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.158 -178.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.665 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 35.9 p -57.38 -38.92 75.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.684 -177.231 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 67.7 mmtt -68.99 -23.99 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.671 -176.524 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.38 -45.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.33 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 176.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.3 -44.9 93.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.549 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.39 -25.81 67.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 177.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.97 6.02 43.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.721 -178.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 69.04 41.73 1.38 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.245 176.166 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 66.9 m -133.62 177.02 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.683 176.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.48 -148.34 14.03 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.84 -177.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.22 156.15 70.35 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.46 -178.175 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.665 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 11.5 Cg_endo -87.13 118.3 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.185 2.59 . . . . 0.0 112.063 178.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.0 mt -78.52 -46.85 18.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.769 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -135.84 143.77 45.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 -175.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.843 HD13 HD12 ' A' ' 130' ' ' LEU . 41.7 tp -146.12 115.9 7.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.131 176.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.06 -151.66 23.69 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.566 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.44 102.85 0.14 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.521 2.147 . . . . 0.0 111.984 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 56.1 t80 -97.98 -66.4 0.9 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.421 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 59.7 mt -124.6 -176.83 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.271 178.094 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 16.9 ptpt -128.95 75.54 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.061 0.458 . . . . 0.0 111.55 -174.396 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.423 ' HB ' ' HE3' ' A' ' 58' ' ' MET . 15.2 m -75.82 -26.99 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 179.24 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 97' ' ' LYS . 30.6 m-85 43.61 67.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 175.363 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -134.65 95.45 15.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.197 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.36 10.42 0.57 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.758 2.972 . . . . 0.0 114.054 -173.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -126.47 3.54 6.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.228 0.537 . . . . 0.0 110.425 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -120.99 -29.23 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.443 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 7.3 m -102.02 130.91 48.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.935 178.121 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.489 HD12 HD21 ' A' ' 52' ' ' LEU . 33.1 pt -105.49 157.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 0.0 110.729 -178.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.0 tt -118.18 126.33 74.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 175.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.9 m -104.38 156.02 18.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 -176.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -125.39 149.86 47.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.99 -154.24 19.29 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.58 -176.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -87.38 150.48 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.5 113.24 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.918 179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.66 -21.38 11.49 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.468 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -88.24 117.03 26.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.081 0.467 . . . . 0.0 111.022 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -106.71 28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -89.1 3.86 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.196 -174.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.8 94.09 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 20.3 m -136.29 149.61 48.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.013 0.435 . . . . 0.0 111.562 -175.335 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 m -142.3 151.29 41.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 175.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.66 131.21 45.79 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.03 179.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 123.58 19.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.365 -174.014 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -103.97 58.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.776 0.798 . . . . 0.0 109.352 175.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -154.03 139.12 17.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.25 179.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -74.34 -29.82 61.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.624 -173.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.2 ptm -85.04 62.46 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -109.57 88.17 2.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.259 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.24 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.747 174.017 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -89.24 126.46 35.51 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.687 -176.017 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 61' ' ' SER . 7.9 tt -83.28 127.14 33.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.681 -177.702 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -128.84 167.75 20.86 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.551 -178.253 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.843 HD12 HD13 ' A' ' 92' ' ' LEU . 51.8 tp -125.05 127.87 47.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -110.93 99.93 8.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.6 m -97.99 156.36 16.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.411 0.148 . . . . 0.0 110.682 -177.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.18 97.62 0.19 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.079 0.466 . . . . 0.0 110.077 174.073 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.577 ' OE2' ' HG2' ' A' ' 43' ' ' LYS . 87.4 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.683 -177.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -127.44 159.45 34.46 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -75.66 14.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.539 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HD1' ' HG3' ' A' ' 79' ' ' LYS . 48.6 m-85 -110.65 -6.32 14.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.439 174.402 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.9 m-20 -69.04 136.51 89.5 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.19 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 45.5 Cg_exo -58.15 -27.5 80.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.688 2.926 . . . . 0.0 113.829 -174.419 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -115.38 18.86 15.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.228 -177.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 63.6 t80 -60.28 128.02 34.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.038 0.447 . . . . 0.0 110.373 -179.272 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -103.32 109.89 21.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -174.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.3 151.92 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -150.29 147.82 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 71.6 mt -101.85 117.51 35.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 167.2 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -81.79 -96.22 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -168.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -115.28 -97.85 0.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.165 -169.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 p 46.8 -97.52 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.396 0.679 . . . . 0.0 112.098 -176.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.15 -51.87 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -170.03 172.46 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.25 -15.16 62.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -165.221 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 55.9 m -116.13 14.51 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 175.542 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 12.4 pm0 -150.09 83.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.654 0.74 . . . . 0.0 109.587 174.767 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.3 -156.62 8.37 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.724 -175.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -79.9 137.43 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.218 -178.178 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.57 109.95 11.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.34 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 48.8 mt-10 -112.62 127.32 56.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.699 175.469 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -124.31 154.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -175.429 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -93.41 91.08 6.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.97 -72.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.243 -173.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -149.65 -47.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -174.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.03 -27.04 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.696 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.55 -145.58 13.11 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -80.56 117.17 21.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.167 0.508 . . . . 0.0 110.321 176.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -126.25 139.05 53.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.68 -176.125 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 69.7 mtp -76.61 147.92 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.4 t -101.68 129.0 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.81 0.338 . . . . 0.0 110.433 178.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.33 132.83 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 1.1 p -74.49 2.32 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -175.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -86.12 5.3 34.47 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 172.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 14.2 t -68.77 150.52 47.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.553 -173.613 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 58.27 22.02 8.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.972 176.284 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 43.29 82.05 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.974 177.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 63' ' ' SER . 2.7 mmp_? -69.43 145.91 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 0.0 110.011 175.752 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -69.73 156.38 39.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.447 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -76.39 45.09 0.37 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.385 0.612 . . . . 0.0 110.807 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -150.12 162.34 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.82 122.42 16.88 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -73.62 142.48 46.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.276 -171.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -90.96 15.36 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.255 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.54 74.71 13.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.009 0.433 . . . . 0.0 110.121 177.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.98 -14.32 5.2 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.341 2.028 . . . . 0.0 112.745 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 p -66.18 -5.91 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.255 -174.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -62.39 -25.87 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.036 0.446 . . . . 0.0 110.11 175.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.22 21.2 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.282 -173.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.561 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.2 m -55.4 -32.75 62.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.728 0.299 . . . . 0.0 111.543 178.484 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' HD1' ' A' ' 29' ' ' TYR . 42.5 mmtm -66.03 -31.01 71.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.507 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.03 -50.56 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 109.874 177.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.28 -37.7 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.039 178.287 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.57 -39.19 87.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.044 179.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -68.9 -19.18 64.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.23 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -102.36 11.34 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 111.047 176.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 62.33 41.5 10.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.773 0.797 . . . . 0.0 111.286 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.4 m -122.63 165.12 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.418 171.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.63 -139.19 1.89 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.101 -173.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.06 151.88 64.31 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 66.3 Cg_endo -80.22 124.95 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.046 2.497 . . . . 0.0 112.566 178.904 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.42 -36.84 57.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 p -152.36 150.87 30.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -175.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.88 HD11 HD12 ' A' ' 130' ' ' LEU . 10.3 tt -148.17 132.88 17.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.731 177.324 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.41 -159.46 29.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.426 179.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.67 79.96 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.064 2.509 . . . . 0.0 111.973 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.609 ' HB3' HD12 ' A' ' 96' ' ' LEU . 10.7 t80 -90.03 -34.78 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.488 -177.432 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 95' ' ' PHE . 4.4 mp -137.94 179.88 6.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 178.681 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 59.9 pttt -161.11 121.02 2.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 110.921 173.434 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.6 p -89.27 -14.67 35.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.286 0.565 . . . . 0.0 110.533 176.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 63.82 22.22 12.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.241 174.161 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.448 ' HB ' ' OG ' ' A' ' 103' ' ' SER . 19.1 m -101.53 108.12 54.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.106 0.479 . . . . 0.0 110.154 176.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.73 11.25 3.16 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.198 2.599 . . . . 0.0 114.413 -170.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -129.99 6.17 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 178.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.448 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 57.5 p -110.52 -9.93 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.4 0.619 . . . . 0.0 109.822 174.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 p -125.93 141.96 51.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.055 -176.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 57' ' ' HIS . 27.8 pt -113.13 157.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.956 178.013 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -131.66 114.2 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.322 0.582 . . . . 0.0 110.063 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 28.4 m -86.54 153.82 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.604 -175.437 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.43 166.23 18.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.795 0.331 . . . . 0.0 111.151 -179.258 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.2 -117.67 4.6 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.624 174.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.05 125.41 29.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.363 -169.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.67 123.04 16.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.192 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.76 -12.59 53.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.793 177.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -78.54 92.97 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.888 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.22 64.39 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.712 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m -153.47 -54.74 0.11 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.83 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.31 61.86 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.556 0.693 . . . . 0.0 109.683 176.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 58.7 m -111.04 144.84 39.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.711 -177.276 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -108.26 160.07 16.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.731 -176.055 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -83.97 134.1 34.67 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.001 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -74.97 70.14 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -79.7 63.74 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.597 0.713 . . . . 0.0 109.566 176.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.61 137.28 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.459 179.185 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.21 48.17 1.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.129 0.49 . . . . 0.0 110.53 -177.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -149.3 29.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.452 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.48 143.14 27.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.212 0.53 . . . . 0.0 110.688 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.438 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 39.5 m80 -123.37 146.53 47.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.146 178.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 126.12 30.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -66.87 112.49 4.32 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.239 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 92' ' ' LEU . . . -95.49 128.6 9.58 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.534 178.567 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.88 HD12 HD11 ' A' ' 92' ' ' LEU . 45.0 tp -121.7 113.91 20.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.4 m -100.58 104.18 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.611 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 24.5 m -101.28 142.09 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.751 0.31 . . . . 0.0 110.935 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.89 128.42 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.731 176.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.618 178.297 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.272 0.558 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -130.61 145.76 51.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.974 179.352 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.07 19.83 0.22 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -173.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -108.05 -2.84 19.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.12 0.486 . . . . 0.0 110.0 174.019 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -95.72 143.19 25.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 178.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.61 -6.54 17.04 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.799 2.332 . . . . 0.0 111.933 179.297 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -103.64 4.46 35.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.15 118.62 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.145 0.498 . . . . 0.0 110.46 -176.466 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.15 102.4 14.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.65 -176.087 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 161.96 36.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.522 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 4.7 ptp180 -154.77 174.94 14.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.194 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD13 ' HA ' ' A' ' 44' ' ' CYS . 63.6 mt -111.35 128.75 56.06 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 170.334 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 49' ' ' GLU . 40.9 p -63.21 151.71 39.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 119.525 -0.274 . . . . 0.0 110.597 -176.215 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -46.86 -44.42 19.52 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.294 0.371 . . . . 0.0 111.509 -175.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t 43.2 -95.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.368 1.043 . . . . 0.0 112.535 171.298 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -114.76 -52.62 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.225 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 8.2 t -141.65 -176.55 4.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.015 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.831 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.34 -64.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -172.579 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.602 ' HA ' HD13 ' A' ' 37' ' ' LEU . 88.9 m -88.76 33.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 0.0 111.706 -174.272 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 10.6 pt20 -159.54 78.92 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.413 175.414 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.41 -171.06 20.92 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.574 -176.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.8 mp0 -73.83 133.27 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.523 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.21 111.15 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.175 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HB2' HG22 ' A' ' 38' ' ' THR . 38.2 tt0 -111.88 127.05 55.72 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 52' ' ' LEU . 27.1 m -118.53 145.88 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.062 0.458 . . . . 0.0 111.005 -177.779 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -93.04 108.77 20.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.076 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD11 HG21 ' A' ' 50' ' ' VAL . 5.6 mp -95.13 -172.44 2.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.674 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.54 -5.24 35.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.754 0.311 . . . . 0.0 111.639 -176.016 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.36 29.75 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 178.354 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.37 -172.67 14.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.73 -1.224 . . . . 0.0 113.763 173.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 93.1 m95 -91.77 136.73 32.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -176.254 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -140.93 142.7 34.37 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 104' ' ' SER . 43.1 mtm -82.14 148.37 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 110.418 177.083 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -91.34 138.15 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.585 -178.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.39 147.77 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 128' ' ' LEU . 26.8 t -80.22 47.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.892 -178.288 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.114 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.4 m -141.71 154.98 45.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.549 -177.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 57.69 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.888 0.742 . . . . 0.0 110.977 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.08 31.43 1.96 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 176.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.44 119.32 37.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -78.09 170.36 16.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -80.7 49.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.35 0.595 . . . . 0.0 111.006 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -143.56 162.75 35.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.44 93.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.97 0.414 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.64 -179.719 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.29 35.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -167.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.04 86.59 4.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -87.61 -18.28 2.55 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.559 2.173 . . . . 0.0 113.452 -175.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.442 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.4 p -70.16 -3.68 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.64 -28.55 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.123 0.487 . . . . 0.0 110.33 174.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.11 24.95 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.847 -177.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.296 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.614 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.4 mtpt -62.5 -28.28 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.479 -176.052 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.1 -45.25 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.9 m -64.16 -32.96 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.335 177.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.93 -31.63 71.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 177.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 5.3 mmp_? -65.28 -33.25 75.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.468 177.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.2 2.11 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 63.09 47.24 4.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.563 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 58.1 m -123.43 170.24 10.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.178 175.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -72.3 -177.63 30.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.35 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.55 149.32 88.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.142 0.496 . . . . 0.0 111.348 -174.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 132' ' ' CYS . 31.9 Cg_endo -65.99 127.63 18.08 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.124 2.549 . . . . 0.0 113.209 -177.802 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 133' ' ' LEU . 95.7 mt -88.64 -34.23 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.988 178.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -143.59 135.57 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -177.061 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.823 HD11 HD13 ' A' ' 130' ' ' LEU . 56.6 tp -133.65 91.93 2.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.9 -152.08 8.96 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.44 133.46 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 -178.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.727 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.5 t80 -118.5 -63.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -176.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 90.7 mt -130.85 152.1 50.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.645 -179.279 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -93.87 80.83 4.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.315 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.7 m -74.26 -36.94 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.151 -177.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.4 t80 57.02 79.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.692 . . . . 0.0 110.858 179.227 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.7 m -125.42 97.46 36.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 177.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.93 -43.56 35.07 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.189 3.259 . . . . 0.0 114.397 -170.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.65 -34.18 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.864 0.364 . . . . 0.0 111.325 -176.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 t -98.86 57.26 1.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.641 -178.084 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' MET . 17.5 p -154.59 124.56 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.002 172.758 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -129.87 153.58 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.236 0.541 . . . . 0.0 111.921 -175.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.23 118.58 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.461 172.347 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.9 t -110.58 159.06 17.89 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.313 -172.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.01 175.39 8.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.93 -176.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.63 -156.95 20.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.542 -179.422 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -67.63 137.84 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.759 177.371 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.69 106.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.708 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 121.36 -13.4 9.5 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.801 178.735 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -96.24 124.34 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.426 178.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.8 m-85 -106.53 36.19 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.282 0.563 . . . . 0.0 110.156 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 m -91.78 -10.61 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.287 -177.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -141.22 74.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.09 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 13.2 m -114.2 151.64 32.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -176.821 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -119.95 160.52 22.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.919 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -73.37 135.22 44.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.026 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -63.61 121.22 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.148 0.499 . . . . 0.0 111.785 -172.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 13.2 tpp85 -114.77 32.77 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.224 1.012 . . . . 0.0 108.671 174.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -115.92 122.43 45.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.959 -176.145 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.62 -35.82 52.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 111.409 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.54 28.23 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.113 177.668 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.24 82.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.556 179.37 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -73.48 111.2 8.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -54.71 139.56 38.68 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -173.646 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.1 tt -81.32 129.7 34.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.561 -173.771 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.727 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -120.62 129.42 7.86 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.666 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.823 HD13 HD11 ' A' ' 92' ' ' LEU . 56.0 tp -97.97 113.23 25.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -98.13 101.85 13.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.382 -179.161 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.597 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.4 m -98.5 158.99 15.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.407 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 30.6 mt -64.93 91.16 0.09 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.079 174.191 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 42.3 tt0 . . . . . 0 C--O 1.252 1.217 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.139 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.477 ' C ' ' H ' ' A' ' 29' ' ' TYR . 52.6 p -103.22 150.44 23.7 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.254 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.5 22.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.528 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' SER . 80.0 m-85 -110.33 -14.17 14.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.898 173.901 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -72.93 134.0 81.51 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.13 -13.87 34.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.827 2.351 . . . . 0.0 112.4 -177.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -106.11 14.69 27.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.826 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -79.97 120.91 24.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.395 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.839 ' HA ' HE21 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -89.82 107.16 18.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -175.685 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.79 154.75 35.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.018 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.622 HH12 ' NH1' ' A' ' 39' ' ' ARG . 6.5 ptm180 -155.39 167.29 30.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.74 177.251 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 130' ' ' LEU . 94.6 mt -97.43 129.46 44.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.8 p -60.9 156.58 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.62 0.724 . . . . 0.0 111.764 -175.003 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.622 ' NH1' HH12 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.69 43.41 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.972 -176.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.48 -68.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.607 -176.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -116.53 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.363 -176.143 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 15.2 m -129.45 153.92 47.48 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -10.84 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.169 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 1.0 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.0 t -132.37 28.37 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.474 0.654 . . . . 0.0 109.938 175.184 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 42' ' ' SER . 41.6 mt-30 -146.92 103.68 3.64 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.65 176.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -152.46 10.57 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.228 -178.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.8 143.74 30.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -74.7 101.9 4.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.104 0.478 . . . . 0.0 109.814 174.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -102.21 122.48 44.27 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.47 150.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -172.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t80 -107.52 106.24 16.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.477 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -101.31 -76.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.099 -178.294 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -126.58 -50.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -177.331 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 55' ' ' GLY . 1.4 p-10 -71.91 -71.34 0.28 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.993 179.272 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . -166.12 -142.06 3.32 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.35 106.91 18.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.91 0.386 . . . . 0.0 110.349 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -118.61 151.76 37.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE1' HG23 ' A' ' 98' ' ' THR . 47.6 mtp -88.15 131.1 34.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.605 -176.576 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.81 129.47 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.859 0.362 . . . . 0.0 110.586 178.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.05 140.29 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.4 p -64.15 -18.69 64.69 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.14 44.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.401 0.62 . . . . 0.0 111.086 -178.598 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -99.37 159.45 15.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.77 175.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 57.94 30.62 19.42 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.853 0.461 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.27 11.83 64.98 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.87 179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.4 141.6 36.71 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.419 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 7.6 t -92.64 155.61 17.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.02 -178.681 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.2 m -71.2 76.37 0.7 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.736 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -146.08 170.94 15.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.18 111.96 20.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.419 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 77.5 m95 -91.57 128.11 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -96.08 54.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.595 0.712 . . . . 0.0 110.227 -175.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.513 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 5.2 t70 -146.8 58.63 4.5 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.4 173.72 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 2.8 Cg_exo -76.63 -7.29 17.6 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.982 2.455 . . . . 0.0 111.916 -175.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 p -59.3 -19.7 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.709 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -66.6 -17.66 64.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 177.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 19.08 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -57.48 -39.57 76.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 17.1 tppt? -53.06 -46.27 68.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.513 177.737 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.09 -48.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -177.571 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 65.3 m -61.14 -41.61 97.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.02 0.438 . . . . 0.0 110.687 -179.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.53 -32.83 71.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.778 -177.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 6.2 mmp_? -65.96 -28.64 69.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.993 0.425 . . . . 0.0 110.615 176.861 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD22 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.84 13.1 15.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.969 177.51 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 63.08 35.74 12.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.7 0.762 . . . . 0.0 110.931 179.269 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.7 m -112.72 170.13 8.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.243 176.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -87.01 156.68 54.85 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.759 0.314 . . . . 0.0 110.692 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.624 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 7.6 Cg_exo -70.09 121.01 7.64 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.891 2.394 . . . . 0.0 112.116 179.226 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -81.2 -34.46 32.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.728 -178.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -165.46 149.73 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 130' ' ' LEU . 9.7 tt -146.72 132.51 18.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.447 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.56 -160.4 29.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.366 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.37 111.79 3.33 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.869 2.38 . . . . 0.0 111.651 178.444 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.721 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 79.0 t80 -106.91 123.36 48.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -177.281 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.3 tp 70.42 154.98 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.822 0.82 . . . . 0.0 111.827 173.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.595 ' HG2' ' HE1' ' A' ' 126' ' ' HIS . 94.4 mttt -96.82 79.88 2.98 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.513 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.492 HG23 ' HE1' ' A' ' 58' ' ' MET . 0.2 OUTLIER -67.3 -32.22 73.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.513 -171.412 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.608 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 25.9 m-85 62.81 13.71 6.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.81 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 125' ' ' CYS . 22.0 m -88.0 108.46 21.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.523 -174.615 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 94.7 Cg_endo -105.75 41.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.969 3.113 . . . . 0.0 111.595 173.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -139.16 -75.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -82.12 13.63 3.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.115 0.484 . . . . 0.0 111.406 -176.141 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.7 p -108.42 149.6 28.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.023 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.5 pt -128.95 145.46 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 0.0 111.6 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.8 120.08 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.758 173.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.42 141.94 29.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.93 0.395 . . . . 0.0 111.01 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.45 168.48 10.34 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.86 -123.04 5.75 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.149 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.71 144.13 49.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -177.057 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.61 116.89 2.52 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.486 0.491 . . . . 0.0 111.629 -178.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.44 46.37 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.158 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -103.55 116.86 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.199 0.523 . . . . 0.0 111.312 -177.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -97.38 48.24 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 p -66.41 -52.32 47.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.488 -176.56 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -139.55 111.22 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.947 0.403 . . . . 0.0 110.291 178.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 62.4 m -111.24 159.41 17.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.954 178.312 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 p -137.61 154.78 49.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.712 0.292 . . . . 0.0 110.99 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -51.2 128.96 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.75 177.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.4 t -67.98 97.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -177.082 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -93.51 79.72 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 178.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -142.34 168.32 20.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 177.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.18 -45.18 57.9 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 0.0 110.517 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.1 ptm -143.58 99.64 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.283 0.563 . . . . 0.0 110.773 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 100' ' ' THR . 5.6 t -77.2 141.34 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.007 178.482 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.595 ' HE1' ' HG2' ' A' ' 97' ' ' LYS . 84.0 m-70 -103.23 122.22 44.31 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 171.48 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 p -70.54 138.2 50.76 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.043 -179.259 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.9 tp -69.26 114.17 7.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.721 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -98.86 126.82 9.04 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.905 -178.076 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.914 HD13 HD12 ' A' ' 92' ' ' LEU . 60.7 tp -119.61 124.72 47.01 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.2 m -112.69 108.76 17.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.059 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.642 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 40.0 m -104.3 153.19 21.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.694 0.283 . . . . 0.0 110.389 -178.302 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.43 98.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 1.0 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 43.5 mt-10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.896 -176.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.608 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 23.9 m -85.37 142.11 29.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.315 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.44 22.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.21 0.529 . . . . 0.0 111.878 -178.514 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' SER . 61.9 m-85 -108.79 -19.11 13.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 172.457 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.22 151.71 85.87 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.358 -172.715 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.64 -51.93 7.21 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.814 2.343 . . . . 0.0 112.916 -176.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.2 17.87 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.115 -172.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 81.1 t80 -86.56 122.19 30.15 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.037 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -114.81 137.58 51.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.55 150.69 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.165 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.41 142.27 47.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.196 0.522 . . . . 0.0 110.674 -177.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 130' ' ' LEU . 78.6 mt -101.48 125.88 48.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.0 p -62.9 156.25 24.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.464 -176.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -73.13 56.05 0.44 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.211 0.529 . . . . 0.0 111.548 179.863 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -62.11 -55.4 29.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 177.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -145.38 -81.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.969 175.199 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -97.3 155.61 16.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 173.018 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.629 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -95.42 26.31 3.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -170.597 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 91.5 m -120.53 15.95 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 167.31 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -156.13 146.95 22.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.617 179.198 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.513 ' HA2' ' CE2' ' A' ' 95' ' ' PHE . . . 142.22 -169.87 25.23 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.253 176.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -61.77 137.87 58.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.461 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.9 tp -96.7 116.87 29.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -176.019 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -112.97 135.25 53.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.365 171.568 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG13 ' CZ ' ' A' ' 114' ' ' PHE . 27.7 m -119.86 153.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.959 -177.327 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -86.59 102.1 13.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.088 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 105' ' ' ILE . 79.1 mt -89.42 -177.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.131 178.132 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.93 -38.19 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.958 0.409 . . . . 0.0 110.984 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -99.07 5.48 46.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.836 -175.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.18 -167.63 14.74 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.242 -0.98 . . . . 0.0 113.624 176.027 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.405 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.7 m95 -73.83 134.3 43.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.764 0.316 . . . . 0.0 111.557 -175.268 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -146.52 155.86 42.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' HG12 ' A' ' 105' ' ' ILE . 81.6 mtp -87.51 139.34 30.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.283 -174.73 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 134.57 29.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.556 179.192 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.792 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 84.2 m -97.48 149.68 21.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.178 177.075 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.643 ' HA ' HD11 ' A' ' 128' ' ' LEU . 13.7 m -79.02 44.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 178.373 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.496 HE22 ' HA ' ' A' ' 67' ' ' SER . 24.3 tp60 -145.14 35.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.418 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -112.64 149.52 32.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.51 -172.153 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.77 20.76 9.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.309 0.644 . . . . 0.0 112.734 176.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.93 -2.9 82.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.34 -178.587 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 71' ' ' TRP . 6.8 mmm180 -73.76 116.28 14.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.496 ' HA ' HE22 ' A' ' 62' ' ' GLN . 10.1 t -73.96 173.27 10.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.265 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 p -73.77 68.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 111.969 -173.399 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -167.4 166.94 14.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -78.94 133.52 36.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.304 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 87.0 m95 -110.3 172.45 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 -178.068 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -82.39 -3.9 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -164.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.475 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t0 -124.22 90.1 51.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.345 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -97.63 -11.9 0.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.072 2.515 . . . . 0.0 113.307 177.14 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.614 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 p -76.19 -7.34 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.703 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.475 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 13.4 mm100 -58.93 -24.81 62.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.874 0.368 . . . . 0.0 111.503 177.32 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.18 26.15 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.636 -174.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -57.61 -43.87 85.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.646 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.17 -31.76 71.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.775 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.11 -55.59 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.141 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.3 m -59.72 -41.57 91.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.512 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.55 -42.39 99.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.873 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -33.48 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.292 -179.166 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -85.44 8.11 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.069 178.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.63 37.72 10.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 177.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.5 m -114.76 173.27 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.19 -163.6 38.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.77 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.41 152.37 44.31 Favored Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 122.831 0.452 . . . . 0.0 111.709 -177.282 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.614 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.5 Cg_endo -77.93 115.17 3.75 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.957 2.438 . . . . 0.0 111.874 178.599 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD11 ' CD2' ' A' ' 133' ' ' LEU . 2.1 tt -80.62 -43.29 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.925 -178.075 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.1 m -147.27 142.99 27.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.286 -175.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 130' ' ' LEU . 33.5 tp -136.96 100.86 4.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.194 176.693 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -172.58 -157.29 14.04 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.643 -176.071 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.74 128.07 20.16 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.5 2.133 . . . . 0.0 112.164 -179.572 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.513 ' CE2' ' HA2' ' A' ' 46' ' ' GLY . 42.1 t80 -132.13 98.37 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.629 179.507 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.8 mt 72.68 149.04 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.014 0.822 . . . . 0.0 111.402 -179.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 77.85 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.857 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.4 m -70.87 -28.59 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -177.009 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 55.49 79.8 0.15 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.037 0.446 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m -138.18 79.51 31.41 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.101 177.552 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.58 62.62 7.15 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.434 2.756 . . . . 0.0 112.572 -175.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -154.98 -56.48 0.1 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.249 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 t -85.07 -5.2 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.219 0.533 . . . . 0.0 110.002 178.387 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.792 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 33.9 p -82.45 136.85 34.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -178.279 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 52' ' ' LEU . 47.0 pt -125.94 152.65 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.382 0.611 . . . . 0.0 111.542 -178.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.2 121.85 63.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -108.64 151.87 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.287 -172.882 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.89 147.88 50.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.671 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.05 -124.1 3.66 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.097 -177.751 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -101.54 134.81 44.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.543 -178.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.52 109.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -178.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.39 -7.18 26.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.608 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.5 t -115.92 119.43 35.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.168 0.509 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.402 ' CZ ' HG13 ' A' ' 50' ' ' VAL . 97.1 m-85 -87.86 62.2 6.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.657 0.741 . . . . 0.0 109.469 177.266 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m -81.97 -67.82 0.75 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.242 -176.89 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -112.83 84.69 2.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.293 0.568 . . . . 0.0 109.654 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.6 m -101.43 144.95 29.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.414 -178.016 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -110.06 145.98 36.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -81.74 123.24 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.318 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.6 t -99.42 128.57 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 111.956 -170.119 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -110.74 42.06 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.456 ' HB3' ' HG2' ' A' ' 124' ' ' MET . 50.6 m-80 -121.45 142.29 50.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -178.524 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.32 -13.19 59.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.426 179.263 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.456 ' HG2' ' HB3' ' A' ' 122' ' ' ASN . 26.9 ptm -83.02 14.17 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.172 0.51 . . . . 0.0 110.604 178.297 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 80.61 9.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.169 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -58.46 129.17 40.79 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.909 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.4 m -68.24 127.1 31.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.549 -178.646 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 61' ' ' SER . 9.3 tt -94.8 136.91 34.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.078 -178.082 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -133.82 153.33 20.83 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.337 -179.261 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 92' ' ' LEU . 60.0 tp -114.77 134.43 55.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.4 m -113.1 98.7 7.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.658 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 21.6 m -92.9 141.78 28.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.251 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 90' ' ' LEU . 87.0 mt -67.33 147.4 53.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.402 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.435 174.952 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 114' ' ' PHE . 2.8 tt . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.1 p -111.48 165.42 12.0 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 -177.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.05 25.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.824 178.189 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.2 m-85 -130.4 25.86 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.739 172.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.78 149.32 36.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.908 174.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.09 -8.73 22.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 123.28 2.653 . . . . 0.0 113.325 -173.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -113.88 10.21 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 179.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -78.58 129.93 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.375 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -127.63 132.52 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.077 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.32 156.15 44.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.83 157.21 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.123 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.5 mt -105.86 144.28 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.027 178.742 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -78.84 171.33 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.729 -172.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -73.04 56.84 0.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.226 177.178 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -78.11 -56.37 4.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.98 -178.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.93 -44.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.296 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.706 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.533 ' HZ1' ' HB3' ' A' ' 43' ' ' LYS . 3.4 mmmp? -73.1 -20.52 60.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -164.716 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 1.001 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.1 t -122.53 30.54 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.367 0.603 . . . . 0.0 111.145 -177.859 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.61 115.92 3.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 175.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -155.26 25.76 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.562 179.172 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.492 ' OE1' ' HE2' ' A' ' 58' ' ' MET . 36.7 mt-30 -77.79 136.87 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -178.575 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.9 tp -86.52 112.09 21.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -104.68 132.7 50.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.016 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.18 150.1 21.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -178.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -89.47 106.85 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.15 178.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.7 mt -125.8 -158.36 0.84 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.075 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.21 -30.81 66.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.247 0.546 . . . . 0.0 110.961 -178.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.46 22.11 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.253 -178.094 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.89 -143.39 29.91 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.878 -179.348 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.8 m95 -82.03 117.65 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.86 149.57 49.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.134 0.493 . . . . 0.0 111.361 -177.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE2' ' OE1' ' A' ' 47' ' ' GLN . 45.6 mtp -80.24 124.75 29.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.665 -176.713 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.9 126.07 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 0.0 110.204 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -85.34 135.8 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 128' ' ' LEU . 16.9 m -59.59 -20.7 57.65 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -171.627 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -88.02 48.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 110.377 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.4 m -108.65 160.35 16.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.38 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 56.97 -96.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.807 178.061 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.6 36.62 1.25 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.52 HH21 HD23 ' A' ' 111' ' ' LEU . 21.2 mmt180 -85.8 132.87 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 110.198 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -76.83 160.69 29.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.866 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 61.55 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.067 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -157.12 151.78 25.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 -176.147 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.11 84.95 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.96 138.89 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 38.4 mt-10 -83.97 68.87 10.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.36 0.6 . . . . 0.0 111.775 -175.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 29.7 t70 -129.78 58.95 41.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.916 168.742 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 72' ' ' GLU . 61.0 Cg_endo -96.2 -16.53 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.892 2.395 . . . . 0.0 113.64 -173.133 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.9 m -65.53 -5.3 7.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.339 -175.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.9 -23.77 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 176.267 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.47 22.82 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -176.358 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.7 m -58.5 -41.69 85.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.807 -178.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.93 -30.35 70.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.607 0.242 . . . . 0.0 110.93 -177.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.2 -53.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 12.7 m -59.52 -39.4 83.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.178 178.555 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.85 -39.64 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.229 -178.457 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -73.25 -21.44 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.58 179.471 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.35 9.42 26.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.586 174.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 65.19 41.27 4.55 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.11 177.81 4.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.9 -141.09 9.14 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.856 176.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.82 150.07 81.1 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.023 0.439 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 55.7 Cg_endo -78.2 116.0 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.019 2.479 . . . . 0.0 111.653 175.48 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.5 -48.54 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.069 -175.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.417 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 5.6 p -135.69 146.1 47.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.024 -175.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 tt -151.1 95.35 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.845 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 -161.07 29.55 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.083 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.53 114.05 1.7 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.681 2.254 . . . . 0.0 111.683 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.679 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 15.2 t80 -118.81 -43.79 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.889 -174.173 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.604 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -133.58 145.17 49.82 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -172.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.9 mttt -91.15 77.77 5.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.737 175.106 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 p -82.65 -48.72 10.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.88 -175.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 71.3 m-85 54.47 57.1 6.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.565 0.541 . . . . 0.0 110.853 -178.02 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 84.16 8.6 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.127 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 4.6 Cg_exo -79.84 37.58 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.45 2.767 . . . . 0.0 113.461 -172.144 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -120.78 -48.09 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.074 0.464 . . . . 0.0 110.501 176.577 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -105.78 7.27 32.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.725 -176.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.9 p -94.88 142.56 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -132.46 149.3 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.92 118.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 173.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -105.0 157.35 17.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.754 -170.823 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -130.83 168.01 17.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.304 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 118.34 -151.18 17.95 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 144.97 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.397 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.52 HD23 HH21 ' A' ' 66' ' ' ARG . 6.1 tt -59.51 102.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 110.2 -178.485 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.64 -10.78 12.45 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -100.07 120.91 40.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.354 -179.116 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.597 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 98.7 m-85 -96.46 41.13 1.11 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.105 -179.9 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.0 t -63.44 -52.03 63.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.891 -176.263 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -132.38 104.6 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -110.79 140.32 45.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.784 177.208 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 t -110.37 156.45 20.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.028 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -66.88 130.95 44.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 t -61.68 121.27 12.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.49 0.494 . . . . 0.0 111.064 -172.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -137.1 68.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 -177.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -137.9 164.86 27.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.08 -51.03 71.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.604 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.7 ptp -117.65 141.21 48.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.917 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 45.6 t -138.58 115.14 10.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -103.43 130.31 50.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.08 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 61.6 m -64.0 133.44 53.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.109 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 61' ' ' SER . 26.2 tp -66.04 107.51 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.48 178.022 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.679 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -88.69 122.25 6.31 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.352 -176.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 tp -110.37 118.78 37.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.417 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.5 m -117.29 110.78 18.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.662 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.694 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 7.2 m -109.77 147.82 32.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.058 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.26 115.28 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.325 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 1.001 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 40.5 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.235 -176.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.0 m -129.61 153.54 47.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.391 176.322 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.4 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -74.62 28.49 0.08 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.493 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' H ' ' C ' ' A' ' 27' ' ' SER . 81.5 m-85 -123.86 -12.03 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 173.374 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.5 143.5 97.13 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.193 -175.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.63 -51.41 10.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.013 2.475 . . . . 0.0 112.342 -176.636 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -97.58 32.45 2.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.639 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 67.7 t80 -74.37 101.72 4.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.663 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -86.24 114.66 23.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.789 -176.036 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.64 159.37 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 2.1 ptp180 -154.16 176.3 12.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.099 -179.001 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.1 mt -109.64 121.29 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 167.639 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 22.7 p -45.17 -87.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -169.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -148.39 -76.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.156 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 49.5 m 67.73 -81.31 0.03 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.489 171.091 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -172.12 -48.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 111.446 -173.253 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.721 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 31.7 m -101.46 158.19 16.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.798 -178.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -75.02 -38.18 61.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.42 -175.475 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 74.0 m -117.26 16.82 14.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.045 0.45 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.721 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 13.1 mt-30 -138.64 100.35 4.05 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.678 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.3 -171.53 38.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.983 -1.103 . . . . 0.0 113.031 -176.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.525 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 15.4 mt-30 -67.75 131.67 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.391 0.277 . . . . 0.0 110.926 -179.783 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.33 129.62 36.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.925 0.393 . . . . 0.0 110.735 178.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.47 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 37.6 tt0 -128.58 130.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.57 154.62 29.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.338 . . . . 0.0 110.973 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -97.45 95.9 7.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.782 -179.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -80.78 -174.13 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.95 -37.16 83.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.06 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.92 -33.44 75.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 176.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 -167.49 23.75 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.298 -177.537 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.19 124.28 20.45 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 122.365 0.266 . . . . 0.0 110.982 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -140.77 149.01 41.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.822 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 72.0 mtp -79.22 141.61 36.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.638 -177.799 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.34 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.091 177.337 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.3 t -103.17 149.94 24.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 -177.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.0 p -60.45 -23.4 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -170.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -77.51 8.82 3.83 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -175.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -76.58 147.92 37.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 -178.117 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 59.51 21.67 10.19 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.566 0.746 . . . . 0.0 112.291 174.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.76 21.47 79.67 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.471 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.98 146.65 45.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.674 178.128 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 p -90.45 153.02 20.7 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.791 174.646 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.5 m -79.32 43.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.337 0.589 . . . . 0.0 111.129 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -143.86 161.87 37.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -78.44 97.61 5.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.862 0.363 . . . . 0.0 110.981 -174.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -81.55 173.44 12.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.64 35.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 38.0 t70 -152.26 62.43 4.57 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 121.369 0.604 . . . . 0.0 110.162 177.843 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.53 ' HB2' ' H ' ' A' ' 92' ' ' LEU . 43.3 Cg_endo -103.57 16.38 0.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.044 2.496 . . . . 0.0 113.583 -176.161 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 46.3 m -117.28 16.03 14.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -89.01 69.97 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.733 177.172 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 29.49 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.524 178.527 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 m -58.29 -45.92 87.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.085 -175.646 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HE3' ' HG3' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -54.61 -37.62 65.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.344 179.405 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.22 -52.77 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.846 0.355 . . . . 0.0 110.11 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.98 -42.24 93.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.194 179.049 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.3 -39.78 89.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.561 0.22 . . . . 0.0 111.293 -175.875 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.577 ' HG3' ' HE3' ' A' ' 79' ' ' LYS . 25.1 mmt180 -71.47 -12.41 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.827 0.346 . . . . 0.0 111.388 -179.867 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.39 6.24 47.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.991 0.424 . . . . 0.0 110.329 173.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.52 49.61 10.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.344 -176.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.59 168.77 13.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.986 -179.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.38 -175.91 49.48 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.762 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.57 156.58 42.5 Favored Pre-proline 0 C--N 1.327 -0.393 0 C-N-CA 122.513 0.325 . . . . 0.0 110.975 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.615 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 3.5 Cg_exo -73.71 110.07 2.99 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.781 2.321 . . . . 0.0 112.113 -179.734 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.29 -43.67 66.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.021 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -152.2 137.96 17.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.639 -177.122 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.759 HD13 HD12 ' A' ' 130' ' ' LEU . 55.3 tp -131.49 103.29 6.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 174.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.05 -161.31 23.87 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.989 -176.496 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.91 100.12 0.35 Allowed 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 111.823 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.777 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.1 t80 -92.44 -39.26 11.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 -177.588 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.594 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 95.7 mt -137.57 150.05 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.418 -177.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -103.99 57.02 0.72 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.205 0.526 . . . . 0.0 109.909 176.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -64.09 -23.94 67.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.547 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 49.47 55.64 9.05 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 111.576 171.438 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -120.88 79.87 32.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.106 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.51 33.56 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.415 2.743 . . . . 0.0 112.813 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -113.98 -48.84 2.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.27 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 m -98.87 1.41 45.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.649 -177.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 p -98.17 153.04 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.572 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.9 pt -125.52 149.18 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.516 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 120' ' ' SER . 95.7 mt -124.41 112.89 34.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.396 177.174 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 64.0 m -87.99 114.86 25.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.031 0.443 . . . . 0.0 111.289 -176.713 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.01 91.95 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.67 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.78 -152.29 10.0 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.957 -178.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.68 138.07 58.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.699 0.294 . . . . 0.0 110.68 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.22 107.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.867 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 113.91 -15.14 21.48 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.097 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -93.88 129.53 40.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.397 0.618 . . . . 0.0 111.265 -179.767 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -106.72 44.88 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.593 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.3 t -91.69 -56.55 3.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.927 -176.196 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.26 75.98 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.056 -178.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.6 m -111.41 107.73 17.06 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.225 0.536 . . . . 0.0 110.736 -178.78 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -88.49 151.07 22.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.532 -179.737 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -73.91 68.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.508 ' HA ' HD11 ' A' ' 106' ' ' ILE . 8.7 t 56.88 82.52 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.747 173.418 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 121' ' ' ARG . 15.9 mmt85 -114.03 59.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.439 0.638 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.71 171.03 14.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.29 -58.47 7.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.171 178.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.3 ptp -99.26 163.79 12.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.743 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 39.0 t -157.57 110.12 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.521 175.414 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -106.35 139.36 40.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.595 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 m -67.15 117.18 8.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 -179.044 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.4 tp -71.76 109.37 5.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.832 -179.248 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.777 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -97.89 126.79 9.0 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.996 -178.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.759 HD12 HD13 ' A' ' 92' ' ' LEU . 53.0 tp -100.27 114.32 27.7 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.513 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.4 m -99.96 90.35 4.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.42 -178.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 26.3 m -80.86 137.41 36.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.666 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.21 102.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.034 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.546 ' HG3' ' HB2' ' A' ' 44' ' ' CYS . 35.0 mt-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.037 168.327 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' H ' ' HB2' ' A' ' 115' ' ' SER . 94.8 mt . . . . . 0 C--O 1.225 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 19.3 m -92.95 149.74 21.04 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.432 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.25 20.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.23 0.538 . . . . 0.0 111.252 -179.101 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 27' ' ' SER . 56.6 m-85 -106.34 -13.68 15.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.479 173.547 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.02 134.99 80.49 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.517 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.28 -15.04 35.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 123.103 2.535 . . . . 0.0 112.879 -175.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.14 4.53 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.095 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -76.3 143.47 40.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 49.7 mt-30 -120.79 133.24 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.916 -176.112 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.54 153.11 32.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.479 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -140.13 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 130' ' ' LEU . 97.4 mt -112.22 127.2 55.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 172.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.551 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 37.6 p -69.83 168.22 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -176.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.766 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -47.76 -68.31 0.2 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.842 0.714 . . . . 0.0 110.793 -176.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m 48.35 -99.03 0.05 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.813 0.696 . . . . 0.0 112.021 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -106.97 -53.72 2.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.433 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 69.0 m -139.67 159.74 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.456 -179.735 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -69.88 -2.25 11.79 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.364 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.4 t -137.95 24.01 2.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.822 0.82 . . . . 0.0 109.229 174.764 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 19.1 mt-30 -145.89 89.45 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.666 178.438 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.65 -163.79 30.48 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.387 -176.467 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.551 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 22.4 mt-30 -61.16 136.49 58.08 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.76 0.329 . . . . 0.0 110.979 -179.81 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.89 119.73 30.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.963 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -113.26 129.4 56.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.514 171.267 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.79 151.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.448 -179.316 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 71.3 t80 -92.61 109.95 21.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.374 -178.726 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.4 mt -104.74 -173.77 2.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.727 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 4.4 tmmm? -56.86 -37.36 71.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 109.814 174.41 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.18 9.91 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.732 -179.272 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.29 -154.15 21.33 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.676 177.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.487 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.1 m95 -80.67 128.9 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.896 0.379 . . . . 0.0 111.262 -175.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -135.16 137.63 42.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.98 128.65 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.798 176.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.27 133.78 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.269 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.25 146.42 25.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.469 ' HA ' HD12 ' A' ' 128' ' ' LEU . 87.8 p -63.21 -26.47 68.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -170.199 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.48 41.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.738 -174.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -101.61 141.99 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.042 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 60.48 -88.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.047 177.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.44 34.97 1.36 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.051 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.027 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 p -129.9 -155.79 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 -174.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.6 t -84.59 -12.92 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -101.98 125.79 48.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -63.57 137.51 58.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.394 -176.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -87.58 163.36 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -86.39 12.23 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.287 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -152.02 111.7 2.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.42 . . . . 0.0 111.431 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 68.3 Cg_endo -100.81 13.8 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.696 2.931 . . . . 0.0 112.43 175.013 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -81.76 33.88 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.366 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.6 -5.02 14.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 110.588 177.709 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.49 17.9 17.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 111.06 -177.689 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -55.72 -37.35 68.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.624 -178.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -64.26 -31.81 73.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.998 -179.181 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.08 -45.74 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.073 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.6 m -59.66 -40.52 87.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.118 175.368 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.264 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -65.19 -24.23 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.684 0.278 . . . . 0.0 111.552 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.68 4.86 53.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.939 0.4 . . . . 0.0 110.766 176.574 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 61.22 47.3 7.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.897 0.856 . . . . 0.0 110.32 179.734 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.9 m -117.45 -179.23 3.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.1 -139.47 5.31 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.424 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.39 151.89 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 55.6 Cg_endo -77.24 108.76 2.68 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.778 2.319 . . . . 0.0 111.709 174.106 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -77.9 -28.35 49.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.327 -177.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.3 m -149.51 147.29 28.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -177.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.691 ' HG ' HD11 ' A' ' 130' ' ' LEU . 1.9 tt -152.43 90.98 1.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -178.697 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.28 -155.44 15.94 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.755 -177.78 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.03 112.75 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.578 2.186 . . . . 0.0 111.879 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.832 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 52.3 t80 -106.94 -41.74 5.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.569 -179.252 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.606 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.0 mt -133.54 165.61 24.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 0.0 111.149 -177.132 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -118.61 43.84 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.668 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 m -68.92 -44.26 73.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -175.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 59.22 81.61 0.16 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 111.388 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 m -106.65 88.26 3.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.918 176.472 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.98 51.5 3.66 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.975 2.45 . . . . 0.0 113.055 -172.457 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.659 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 63.4 tp60 -160.83 -43.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.171 177.245 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -90.48 -26.1 19.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -178.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -79.54 143.76 34.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.062 0.458 . . . . 0.0 110.635 -176.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.9 pt -124.02 151.13 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.7 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.34 124.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.236 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 60.7 m -99.66 145.86 27.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 -177.503 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -122.44 168.52 12.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 -176.315 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.12 -118.96 4.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.655 172.271 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.7 122.0 26.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.974 0.416 . . . . 0.0 111.944 -172.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.78 124.87 19.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.382 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -7.07 67.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 177.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.7 t -106.42 123.88 48.75 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.608 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -98.5 23.44 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.438 177.11 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HB2' ' H ' ' A' ' 26' ' ' LEU . 11.7 t -69.16 -24.06 64.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.633 -177.438 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -139.93 88.15 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 110.02 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 59.3 m -119.45 148.96 42.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.649 179.249 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.1 m -132.5 167.99 18.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.829 0.347 . . . . 0.0 111.043 -176.55 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.659 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 14.4 t-80 -62.69 131.02 47.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.014 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -63.91 104.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.867 -174.825 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -138.68 60.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.282 174.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -109.99 -176.78 3.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -59.85 -60.16 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.961 0.41 . . . . 0.0 111.041 -177.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.0 ptp -148.1 156.71 42.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -169.92 143.66 2.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 -174.66 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -116.66 164.68 14.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -174.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.456 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 9.5 m -66.47 122.45 17.58 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.347 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 61' ' ' SER . 22.1 tp -74.18 122.7 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.189 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.832 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.92 130.74 9.09 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.445 -178.09 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.691 HD11 ' HG ' ' A' ' 92' ' ' LEU . 51.5 tp -107.66 125.04 50.86 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.617 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -107.63 95.61 5.82 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -177.723 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 36.7 m -98.82 137.47 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.408 ' CD2' HD12 ' A' ' 90' ' ' LEU . 16.7 mt -61.3 117.5 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.822 179.046 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.433 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 43.2 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.581 170.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 40.9 m -143.64 156.94 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.173 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.536 ' O ' ' HB2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -77.46 34.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 0.0 111.747 -179.702 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.9 m-85 -134.0 -2.93 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.676 173.632 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.6 138.16 58.74 Favored Pre-proline 0 C--O 1.232 0.169 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.027 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.01 -18.28 51.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.145 2.563 . . . . 0.0 113.167 -174.74 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -105.73 5.48 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -69.98 129.86 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.75 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.581 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.3 mt-30 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.494 -179.406 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 156.45 43.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 178.483 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HD2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -149.44 161.71 41.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.959 -179.763 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.0 mt -108.46 127.79 54.22 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.771 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 p -53.25 138.06 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.647 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -46.24 -38.3 8.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.827 0.704 . . . . 0.0 112.868 -169.502 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.647 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 36.2 t 45.41 -96.48 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.867 0.729 . . . . 0.0 111.611 175.034 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -132.78 -17.36 2.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.316 0.579 . . . . 0.0 109.533 173.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 11.4 t -151.94 141.81 22.01 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.656 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.28 0.05 20.68 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.633 ' HA ' HD12 ' A' ' 37' ' ' LEU . 32.7 m -124.15 23.99 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 110.059 172.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 9.5 tt0 -154.74 87.76 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.505 176.494 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.86 -167.48 32.86 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.113 -176.424 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HG3' HD12 ' A' ' 96' ' ' LEU . 21.5 mt-30 -69.28 137.84 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.313 . . . . 0.0 110.737 179.039 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.75 114.95 16.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.374 178.037 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 28.8 tt0 -119.11 122.79 42.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.749 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.45 150.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.756 -173.612 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.9 t80 -98.43 106.37 18.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.398 176.467 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 mt -111.78 -167.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.541 179.52 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -57.54 -28.03 63.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.208 0.528 . . . . 0.0 110.78 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.1 16.99 20.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.738 -176.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.81 -160.05 26.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.748 176.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -78.98 120.94 24.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.982 -179.208 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.83 142.79 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.059 178.313 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.0 mtp -71.84 140.01 49.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 178.388 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.5 t -92.32 125.6 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.0 0.429 . . . . 0.0 110.257 178.105 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 138.26 31.69 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' HA ' HD11 ' A' ' 128' ' ' LEU . 14.3 m -61.77 -21.01 64.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -171.412 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -85.3 59.14 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.241 0.543 . . . . 0.0 109.915 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.2 m -122.61 151.14 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.631 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.403 ' HB2' ' H ' ' A' ' 65' ' ' GLY . 3.4 m-90 59.07 -96.07 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.995 176.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -133.12 19.66 4.33 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.146 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.613 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 17.8 mmt180 -83.9 172.26 12.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.041 0.448 . . . . 0.0 110.318 -179.688 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 p -131.35 -159.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.564 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.551 ' C ' ' HG2' ' A' ' 94' ' ' PRO . 14.4 t -87.7 15.62 6.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -178.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -140.68 172.04 13.26 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -75.99 142.03 42.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.688 -175.098 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.613 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 22.6 m95 -108.14 171.73 7.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.25 171.493 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 26.8 tt0 -88.24 42.01 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.416 0.627 . . . . 0.0 110.747 -173.033 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.479 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 2.1 m-20 -133.34 62.19 58.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.141 178.094 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 1.3 Cg_endo -86.25 -32.78 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.827 2.351 . . . . 0.0 112.029 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.853 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.8 m -68.42 -12.51 61.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.711 -174.782 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -65.32 -19.87 66.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.697 178.54 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.7 27.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.898 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 t -50.62 -51.81 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.622 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 28' ' ' TRP . 5.1 mptp? -67.24 -23.19 65.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.57 -52.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.07 -35.44 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 109.93 176.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.066 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -62.95 -29.26 70.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 110.978 176.721 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD13 ' HG ' ' A' ' 37' ' ' LEU . 74.3 mt -92.61 2.66 56.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.693 179.583 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 57.66 37.96 27.52 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.874 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -109.11 176.49 5.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.142 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.82 -130.85 2.21 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.138 -176.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -74.64 150.52 86.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 111.694 -174.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.853 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.5 Cg_endo -84.62 105.09 0.99 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.233 2.622 . . . . 0.0 110.983 173.117 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -71.59 -49.24 42.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.414 -174.701 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.0 m -146.16 148.02 32.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -176.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.882 HD11 HD12 ' A' ' 130' ' ' LEU . 10.3 tt -149.47 117.04 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.55 -166.25 38.5 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.536 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.551 ' HG2' ' C ' ' A' ' 68' ' ' SER . 27.4 Cg_exo -64.52 95.93 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.855 2.37 . . . . 0.0 111.846 178.213 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -97.94 -33.03 11.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -176.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 81.2 mt -123.29 156.11 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 52.1 mtmt -120.65 52.9 1.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -177.549 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 m -92.38 -41.07 10.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.428 178.184 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.6 p90 37.82 72.63 0.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.098 0.959 . . . . 0.0 113.337 177.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 p -86.62 101.51 2.13 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.56 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 19.6 Cg_endo -57.71 -28.18 80.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.824 2.349 . . . . 0.0 113.345 -171.166 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -74.1 -44.59 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.2 m -91.61 -37.22 13.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.301 -175.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 18.6 m -82.15 127.37 33.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.134 -178.226 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.6 pt -109.99 151.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.181 0.515 . . . . 0.0 111.196 -177.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.6 mt -110.86 121.54 63.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.836 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.81 157.23 17.35 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.829 -174.651 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -130.03 161.86 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.52 -132.26 10.87 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.97 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.39 150.22 23.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -176.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.63 103.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 109.37 -1.5 31.01 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.42 179.242 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t -84.39 100.28 11.19 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.126 0.489 . . . . 0.0 110.4 179.654 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -92.55 27.77 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.608 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.1 m -66.24 -55.02 18.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.231 -174.455 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -137.53 105.75 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.588 -179.219 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.0 m -114.51 156.02 25.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.437 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -117.99 167.47 11.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.042 0.449 . . . . 0.0 111.395 -175.606 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -59.34 141.32 54.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.455 175.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.56 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 29.9 t -62.88 108.53 1.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.574 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -126.94 49.79 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.781 -174.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' A' ' 125' ' ' CYS . 25.6 p-10 -130.23 -178.99 4.99 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.351 175.597 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.01 -52.52 7.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.928 0.394 . . . . 0.0 111.292 -175.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' A' ' 124' ' ' MET . 15.6 ptp -125.95 101.61 6.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.385 0.612 . . . . 0.0 111.113 -178.049 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.498 ' HB2' ' OD1' ' A' ' 122' ' ' ASN . 6.1 t -111.32 167.85 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.619 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.457 ' CD2' ' HG2' ' A' ' 97' ' ' LYS . 21.7 m170 -140.49 149.78 42.93 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.133 -0.354 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.599 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 13.4 m -73.13 124.78 26.26 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.513 HD21 ' HG ' ' A' ' 92' ' ' LEU . 6.7 tt -77.23 123.44 26.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.579 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.69 138.02 14.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.746 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.882 HD12 HD11 ' A' ' 92' ' ' LEU . 65.4 tp -121.17 135.92 55.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.32 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.7 m -116.88 103.98 10.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.806 178.259 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 33.7 m -104.14 134.91 46.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.432 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.439 ' CD2' HD11 ' A' ' 90' ' ' LEU . 41.2 mt -60.84 124.81 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.428 0.156 . . . . 0.0 110.903 177.846 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.765 175.459 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 t -142.61 150.63 40.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.02 23.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -111.41 -11.12 14.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 0.0 110.488 173.334 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.22 130.58 41.49 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.162 -178.688 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.62 -7.88 22.17 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.944 2.429 . . . . 0.0 112.435 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.68 -25.81 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 174.098 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -75.05 137.57 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.869 -177.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.855 ' HA ' HE21 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -119.72 133.98 55.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.731 0.3 . . . . 0.0 110.471 -178.15 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 153.54 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 143.85 28.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -176.786 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.5 mt -97.06 140.42 31.6 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 HG21 HE21 ' A' ' 47' ' ' GLN . 81.4 p -71.13 162.67 29.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.213 177.571 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.34 -72.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.453 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 t 59.78 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.59 0.556 . . . . 0.0 111.141 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -110.48 -44.99 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 109.721 178.636 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HG ' ' CD ' ' A' ' 134' ' ' GLU . 9.6 t -171.28 163.13 7.02 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.607 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.11 -18.58 63.57 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -166.507 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 87.7 m -97.15 3.71 51.49 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.612 -0.435 . . . . 0.0 112.086 -178.736 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 3.6 pt20 -152.46 102.17 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.671 0.748 . . . . 0.0 111.2 177.129 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.27 -165.29 20.16 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.997 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.47 HE21 HG21 ' A' ' 38' ' ' THR . 22.4 mt-30 -76.68 133.49 39.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.891 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.08 111.82 18.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -110.26 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 172.534 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.81 152.96 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 -177.171 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -94.08 118.22 31.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.963 -178.242 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.73 176.74 5.06 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.216 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 2.5 tmtp? -59.2 -37.23 76.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -173.588 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -99.36 19.35 15.69 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.09 -173.55 19.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.8 172.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.47 140.53 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -178.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -138.71 144.66 39.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.536 -178.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.5 mtp -81.81 133.94 35.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.016 178.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.82 116.74 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.092 0.472 . . . . 0.0 109.931 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 62' ' ' GLN . 43.5 t -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 80.3 p -79.24 39.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -175.753 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' H ' ' C ' ' A' ' 60' ' ' CYS . 20.2 tp60 -118.46 21.63 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.34 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.0 m -99.0 147.54 24.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.166 -175.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.447 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 3.3 m-90 58.81 -87.5 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 111.957 177.005 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.05 29.2 2.75 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.184 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -109.32 150.72 27.58 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.651 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.6 p -148.55 -82.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.263 0.554 . . . . 0.0 110.523 176.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -130.92 0.34 4.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.696 0.76 . . . . 0.0 109.482 176.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -110.66 144.4 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.456 -177.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -81.69 139.32 34.99 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.448 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -91.42 164.5 13.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.375 -168.787 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.4 -53.76 54.49 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.504 0.502 . . . . 0.0 112.32 -175.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -112.64 104.92 56.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.381 . . . . 0.0 111.288 -175.112 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -93.45 -6.44 2.62 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.944 2.43 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.87 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 33.1 m -85.04 44.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 111.67 -173.597 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -103.25 -19.28 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.817 174.425 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.39 20.67 11.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.863 -178.828 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -54.97 -42.47 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.709 -178.204 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.855 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -61.62 -37.3 83.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.024 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.42 -55.18 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.152 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 57.9 m -57.93 -44.91 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 -179.83 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.65 -46.46 88.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -177.302 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.571 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 4.4 mmp_? -76.32 -19.48 58.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.508 -178.61 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -86.85 10.05 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 177.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.2 t30 68.67 45.18 1.08 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.134 0.968 . . . . 0.0 110.382 179.202 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 80.1 m -135.44 176.19 8.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.466 176.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.83 -157.34 26.47 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.676 -179.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.4 m-20 -55.43 150.21 24.87 Favored Pre-proline 0 N--CA 1.468 0.454 0 C-N-CA 122.692 0.397 . . . . 0.0 112.016 -176.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.87 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 8.8 Cg_endo -85.11 104.31 0.86 Allowed 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.297 2.665 . . . . 0.0 111.877 177.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.484 HD13 HD22 ' A' ' 133' ' ' LEU . 92.6 mt -68.84 -38.59 79.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.199 -178.584 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -147.75 154.29 40.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 -177.354 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 tt -156.03 99.39 1.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.16 -162.32 27.32 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.638 -177.648 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.03 107.22 0.75 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.431 2.087 . . . . 0.0 112.025 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.822 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.8 t80 -93.69 -40.52 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.204 -177.584 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -139.66 163.94 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.53 -178.091 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -111.0 58.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 m -79.49 -29.36 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.647 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 68.38 -76.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.52 -179.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m 46.05 72.28 1.29 Allowed Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.463 0.477 . . . . 0.0 110.758 -173.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.44 46.92 1.5 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.383 2.722 . . . . 0.0 113.03 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -139.84 -38.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.006 177.17 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.3 m -105.31 -11.27 16.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.464 -177.012 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.0 p -83.77 127.76 34.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.649 . . . . 0.0 111.705 -175.245 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.8 pt -116.96 155.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.124 179.048 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.87 131.32 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.277 176.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.85 147.67 31.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.428 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -117.44 154.48 31.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.017 -172.442 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.5 -123.42 6.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.184 -0.531 . . . . 0.0 114.079 171.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 110' ' ' GLN . 10.5 mt-30 -71.61 119.41 15.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.544 . . . . 0.0 112.353 -172.867 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 64' ' ' TRP . 4.8 tt -61.01 118.78 7.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.045 178.036 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.28 -15.98 15.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.665 177.404 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -97.77 135.73 39.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.095 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.477 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 88.5 m-85 -118.69 24.07 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.766 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.0 m -79.77 -43.76 21.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.964 0.412 . . . . 0.0 110.859 -176.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -114.9 65.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.169 0.509 . . . . 0.0 111.131 -177.802 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 19.3 m -101.05 159.04 15.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.507 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.8 m -144.21 166.01 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.644 0.259 . . . . 0.0 110.651 -178.599 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -72.84 140.93 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.4 t -60.02 113.45 2.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 -177.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -118.09 27.65 8.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.03 172.76 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 178.661 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.41 -64.48 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -173.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -101.44 155.97 17.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 111.92 -172.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 32.3 t -153.83 143.3 21.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.34 176.556 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.431 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 33.3 m170 -126.1 146.88 49.75 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -83.4 118.66 23.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -177.31 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.27 123.74 24.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 -177.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.822 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -109.61 126.85 8.19 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 178.002 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 51.0 tp -103.34 117.88 35.5 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 178.578 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.9 m -104.24 95.83 6.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.723 0.297 . . . . 0.0 110.915 -177.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 81' ' ' CYS . 4.4 m -98.09 148.07 23.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.8 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.484 HD22 HD13 ' A' ' 90' ' ' LEU . 66.0 mt -56.59 139.46 49.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.601 176.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.6 -177.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' TYR . 11.4 m -83.85 138.24 33.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.114 -178.138 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.04 13.82 0.62 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.449 0.643 . . . . 0.0 110.778 176.882 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.68 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 2.9 t80 -115.43 5.29 14.49 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.322 178.89 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 33.2 m-20 -90.7 136.67 27.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.261 178.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 28.1 Cg_exo -62.89 -16.21 52.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.336 2.691 . . . . 0.0 112.778 -178.38 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -100.38 -2.09 34.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.707 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.72 132.73 46.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.161 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.88 120.99 41.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 111.209 -177.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.21 151.41 38.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.946 177.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.747 ' NH1' HH12 ' A' ' 39' ' ' ARG . 0.1 OUTLIER -143.71 157.78 44.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.654 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.2 mt -107.85 120.2 41.6 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 178.47 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.527 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 4.3 m -54.36 115.22 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.634 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.747 HH12 ' NH1' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -47.18 -74.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.969 0.793 . . . . 0.0 112.506 -166.89 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t 65.62 -68.12 0.12 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.021 0.439 . . . . 0.0 110.482 -176.554 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -120.48 -35.88 3.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.819 -179.261 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 t -151.64 161.38 42.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.631 -175.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -88.12 5.06 43.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.276 0.56 . . . . 0.0 109.736 177.129 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -119.74 -1.85 10.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.041 178.784 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.65 119.59 7.65 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.15 -151.05 11.61 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.797 -179.297 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.527 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 56.3 mt-30 -86.85 147.49 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.16 108.96 18.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.006 0.432 . . . . 0.0 111.11 -177.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -112.68 133.64 54.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.482 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.01 152.22 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.666 -177.818 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -103.25 102.92 12.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 mt -104.46 -169.38 1.61 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.09 -22.48 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 110.489 -179.505 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.99 0.51 47.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.7 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.43 -161.74 14.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.721 175.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.76 125.82 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.833 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -142.35 145.77 34.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.215 0.531 . . . . 0.0 111.157 179.062 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.483 ' HE3' ' OE1' ' A' ' 47' ' ' GLN . 42.4 mtp -75.83 140.84 42.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.114 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.21 127.23 41.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.937 0.399 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.7 134.27 39.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 87.7 p -78.37 51.62 1.05 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.036 0.446 . . . . 0.0 111.374 -177.422 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.687 ' HG2' ' HE1' ' A' ' 124' ' ' MET . 22.7 tp60 -151.49 31.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.666 0.746 . . . . 0.0 109.114 177.039 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -95.23 143.94 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.327 -172.473 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.499 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 3.7 m-90 58.38 -89.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.733 179.112 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -138.95 26.55 2.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.115 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 21.7 mmt180 -100.98 116.62 33.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 69' ' ' LYS . 6.5 m -75.74 173.49 11.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.926 -179.394 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -78.62 44.99 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.376 0.607 . . . . 0.0 110.345 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 67' ' ' SER . 56.6 mtpt -142.85 152.72 42.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.59 107.37 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.585 0.707 . . . . 0.0 109.817 178.156 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 145.68 42.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.287 -175.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -82.97 41.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.194 0.521 . . . . 0.0 110.533 -177.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -152.53 68.04 6.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.18 0.514 . . . . 0.0 110.809 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.83 -12.58 4.26 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 179.559 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 m -64.95 -16.9 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.187 -174.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -71.66 -14.83 62.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.972 0.415 . . . . 0.0 110.342 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.48 10.37 41.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -177.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.451 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 49.3 m -56.76 -38.22 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.611 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.68 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -61.97 -32.02 72.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.888 -179.633 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.76 -49.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 110.274 178.249 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 77.5 m -61.06 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.07 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.4 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 3.2 tmt_? -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.94 4.0 54.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.502 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.86 43.69 5.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.73 0.776 . . . . 0.0 110.917 -178.247 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.5 m -117.69 167.22 11.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 175.445 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.0 49.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.082 178.29 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.44 150.62 23.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.06 0.457 . . . . 0.0 111.945 -175.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 56.0 Cg_endo -73.53 127.12 11.46 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.142 2.561 . . . . 0.0 113.161 -176.558 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD13 HD22 ' A' ' 133' ' ' LEU . 95.2 mt -84.04 -45.21 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -145.93 152.49 39.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -176.32 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.851 HD13 HD12 ' A' ' 130' ' ' LEU . 25.3 tp -151.28 139.11 19.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.284 -177.227 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 -157.13 26.51 Favored Glycine 0 C--O 1.227 -0.295 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.014 177.198 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.13 101.02 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.816 2.344 . . . . 0.0 112.133 -179.655 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.53 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 6.7 m-85 -101.74 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.484 -175.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 68.4 mt -100.7 168.84 9.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.626 -175.225 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 2.5 mptp? -125.21 64.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 -173.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -77.24 -37.93 52.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.387 178.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 69.5 m-85 46.46 72.64 0.22 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.603 0.564 . . . . 0.0 111.812 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.0 m -133.1 91.91 26.87 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.44 178.652 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.5 66.43 2.21 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.271 2.647 . . . . 0.0 111.432 178.257 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 34.7 tt0 -163.63 -54.6 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.268 -178.125 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 m -85.5 -10.38 56.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.639 178.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 p -110.26 151.66 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.69 157.5 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.781 178.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.3 tt -123.61 127.58 74.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.179 0.514 . . . . 0.0 109.696 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.4 m -98.92 142.04 30.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.945 0.403 . . . . 0.0 111.262 -173.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -121.76 170.41 9.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 178.085 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.79 -133.46 11.41 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.759 179.186 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -94.48 134.58 36.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 -175.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.96 114.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.622 -178.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.64 -8.64 28.08 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.902 176.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -98.87 109.9 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.124 0.487 . . . . 0.0 110.935 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.499 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 62.2 m-85 -96.69 22.63 7.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.052 175.74 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.5 m -59.76 -43.43 94.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.605 -175.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -148.23 100.27 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.202 0.525 . . . . 0.0 110.518 179.266 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.9 157.31 16.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.696 178.238 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.7 t -109.66 156.56 20.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.729 -176.017 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 26.1 t-80 -73.01 135.7 44.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.215 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.6 m -61.32 116.89 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.186 0.304 . . . . 0.0 110.961 -177.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -95.23 7.85 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.727 -176.551 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 124' ' ' MET . 24.9 p-10 -141.75 163.55 32.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.105 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.1 4.86 53.22 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.687 ' HE1' ' HG2' ' A' ' 62' ' ' GLN . 22.6 ptt? -95.21 18.92 11.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.092 -175.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.84 95.43 4.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.669 0.747 . . . . 0.0 111.61 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.468 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 76.2 m80 -73.87 149.53 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.966 174.663 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.491 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 8.5 m -73.79 110.26 7.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.02 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.2 tt -66.83 119.63 12.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.965 -177.069 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -106.08 144.71 15.85 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.906 -178.745 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.851 HD12 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -131.84 118.18 19.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.88 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.7 m -104.06 99.55 9.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.598 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 59.0 m -85.86 154.97 21.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.107 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 90' ' ' LEU . 21.2 mt -64.08 102.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 0.0 110.272 175.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.179 -178.517 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.603 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 18.1 m -89.82 148.89 22.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.0 110.338 -176.77 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.508 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -73.2 18.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.764 178.208 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 27' ' ' SER . 6.1 t80 -120.91 2.08 10.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.874 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -90.82 145.5 32.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.42 -21.77 60.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 123.342 2.695 . . . . 0.0 112.891 -178.255 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -99.26 14.79 28.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.853 0.358 . . . . 0.0 111.268 -177.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -84.02 129.05 34.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.841 0.353 . . . . 0.0 110.166 178.169 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.5 mt-30 -116.48 126.28 53.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.464 -177.48 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.551 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -158.13 160.3 37.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.354 -177.868 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -141.53 170.49 15.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.76 176.323 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.0 mt -121.0 46.56 2.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.125 -176.516 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.645 HG21 HE21 ' A' ' 47' ' ' GLN . 71.9 p 45.86 -158.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.388 176.435 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -127.4 41.41 3.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.526 178.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.374 -171.775 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -157.04 -40.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 -177.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -138.26 153.27 49.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.68 -13.89 62.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.385 -173.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 10.2 t -122.57 22.32 9.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 178.381 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -147.87 104.81 3.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.79 -146.5 8.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.88 -178.481 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.645 HE21 HG21 ' A' ' 38' ' ' THR . 22.5 mt-30 -83.59 135.57 34.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 -176.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.7 tp -78.19 105.41 9.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.145 0.498 . . . . 0.0 110.898 -179.18 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.17 125.82 51.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.162 173.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -109.13 150.79 11.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.444 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 76.6 t80 -99.82 101.78 13.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.916 178.651 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 114' ' ' PHE . 78.3 mt -102.26 -165.04 1.14 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 179.086 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -30.72 71.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -176.276 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -57.36 3.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.574 174.657 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.24 -144.61 9.56 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 178.293 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.551 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.8 m95 -82.78 125.03 30.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.698 0.285 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -140.05 146.42 38.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.0 mtp -78.18 132.42 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.505 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.75 126.53 40.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.869 0.366 . . . . 0.0 110.631 179.186 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.7 t -80.95 137.53 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -77.42 8.44 4.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.188 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.495 ' HG2' ' HE2' ' A' ' 124' ' ' MET . 40.4 tp60 -110.17 36.8 2.91 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.712 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m -105.16 160.35 15.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.027 -175.06 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 62.37 -89.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.751 175.833 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.77 22.44 1.98 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 177.881 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HD2' ' CE2' ' A' ' 71' ' ' TRP . 85.3 mmt-85 -112.4 143.73 43.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 -176.676 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -97.85 161.71 13.61 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.112 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.459 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 5.4 t -69.29 78.98 0.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 -179.185 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -148.71 157.45 43.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -79.28 109.22 13.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 -178.401 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 87.7 m95 -91.36 169.44 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.764 -177.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.94 24.71 10.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.818 -170.385 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -144.16 86.22 8.48 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.961 0.41 . . . . 0.0 110.695 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.13 -10.84 5.57 Favored 'Trans proline' 0 N--CA 1.452 -0.971 0 C-N-CA 122.149 1.9 . . . . 0.0 111.824 174.341 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.608 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 21.1 p -73.62 -1.38 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.016 -174.746 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.2 -19.35 61.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.046 0.451 . . . . 0.0 110.518 174.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.74 22.41 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -174.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -58.09 -36.07 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.658 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 57.0 tptt -65.72 -29.36 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.67 -47.21 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.168 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.06 -39.08 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.602 177.074 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.3 -35.44 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.689 178.4 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -67.77 -23.03 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 177.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.21 9.18 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.114 177.204 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.16 48.16 15.82 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.101 -179.269 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.7 m -117.42 178.4 4.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.685 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.07 -151.91 8.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.096 178.001 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -77.1 151.55 81.67 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-O 121.06 0.457 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 43.1 Cg_endo -74.46 119.77 5.91 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.867 2.378 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.81 -48.52 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.319 -175.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -145.11 152.37 39.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -176.764 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.845 HD12 HD13 ' A' ' 130' ' ' LEU . 9.6 tt -147.26 137.8 23.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.119 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.16 -152.48 23.51 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.813 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.49 96.33 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 111.623 176.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.957 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 55.0 t80 -82.9 -41.59 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -176.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.526 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 77.3 mt -136.87 151.05 48.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.266 0.555 . . . . 0.0 111.312 -177.663 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -102.88 47.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.67 177.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.7 m -77.39 -34.55 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.605 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 98.4 m-85 68.94 -73.44 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.961 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m 42.02 73.71 0.86 Allowed Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 123.443 0.697 . . . . 0.0 112.294 -177.635 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.77 64.47 3.14 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.537 2.158 . . . . 0.0 111.801 178.645 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -166.48 -31.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.705 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 m -107.57 -8.52 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 178.694 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 p -94.59 149.75 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 0.0 110.734 -178.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.3 147.79 32.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.9 mt -111.27 118.88 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -100.76 161.69 13.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.244 -177.559 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -126.31 157.12 39.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.196 -175.185 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.25 -141.2 15.22 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.305 175.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.3 147.11 34.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -176.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.41 112.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.213 -176.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 104.59 -4.31 43.16 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.851 177.281 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.1 t -88.01 106.93 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.955 0.378 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.6 m-85 -98.67 26.08 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 178.502 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 m -67.15 -26.9 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.824 -175.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -155.97 94.05 1.5 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.985 0.421 . . . . 0.0 110.038 -178.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 52.2 m -106.63 153.53 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 -179.11 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -112.91 133.27 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 110.521 -177.297 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -84.58 100.85 11.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.308 175.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 m -111.96 141.5 45.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.878 178.203 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -108.85 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.013 0.435 . . . . 0.0 110.805 -178.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -110.25 153.02 25.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.545 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.04 34.54 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.104 -169.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.495 ' HE2' ' HG2' ' A' ' 62' ' ' GLN . 19.3 ptt? -121.3 14.49 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 176.855 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 6.9 m -95.7 117.09 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.601 -179.522 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.459 ' HB2' ' OG ' ' A' ' 68' ' ' SER . 33.1 m80 -94.22 143.97 25.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.882 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 m -61.17 116.95 4.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 -179.416 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.74 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.166 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.957 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.54 148.81 16.86 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.489 -176.84 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.845 HD13 HD12 ' A' ' 92' ' ' LEU . 62.4 tp -131.55 124.34 29.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.003 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.0 m -104.41 96.86 6.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.36 178.441 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 60.7 m -86.48 145.34 26.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.3 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.02 105.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 178.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.099 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 53' ' ' LYS . 95.7 mt . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -154.31 150.03 27.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.158 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.95 0.4 7.45 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.488 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -91.34 -17.79 25.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -178.923 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.48 146.26 65.4 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 -177.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.28 -15.4 31.55 Favored 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 123.309 2.673 . . . . 0.0 113.458 -174.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -110.65 20.51 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.46 -179.164 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -99.25 124.36 44.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.658 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -106.75 141.85 37.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.883 0.373 . . . . 0.0 111.273 -177.002 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.88 154.23 38.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.167 178.621 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.625 ' HA ' HD23 ' A' ' 84' ' ' LEU . 5.5 ptp180 -144.63 169.01 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.6 mt -117.31 136.43 53.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.254 174.095 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 p -62.84 155.99 25.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.815 -177.648 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -68.09 64.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.886 -179.733 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 t -79.14 -60.96 2.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.113 178.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -144.36 -74.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 109.751 178.671 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 48.3 t -105.44 163.8 12.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.033 177.579 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.608 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -72.92 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.455 -178.613 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.9 m -102.69 11.49 37.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.491 -178.164 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 20.1 pt20 -152.89 131.65 12.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.039 0.447 . . . . 0.0 111.399 -179.697 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.46 -154.93 25.96 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.342 178.022 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.644 ' HG3' HD12 ' A' ' 96' ' ' LEU . 92.7 mt-30 -88.87 133.84 34.15 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.586 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 tp -80.69 116.94 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -111.11 135.71 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.831 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.94 152.05 22.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -177.606 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -93.74 106.76 18.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 178.583 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 105' ' ' ILE . 50.0 mt -99.21 -168.92 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.648 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.0 mttt -63.75 -36.68 84.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.386 177.724 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -51.09 10.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.187 178.083 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.62 -147.43 12.02 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.513 177.46 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -86.6 121.8 29.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -177.365 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -136.14 143.15 44.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.629 179.447 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.8 ttp -80.29 133.38 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.363 -179.033 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.18 132.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 -177.485 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -86.22 134.26 33.79 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.012 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 8.6 p -78.51 20.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.074 0.464 . . . . 0.0 111.71 -176.023 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -110.82 33.36 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.0 0.905 . . . . 0.0 108.727 174.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -108.52 157.06 18.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.108 -175.836 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 60.55 -89.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.15 0.906 . . . . 0.0 111.764 176.45 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.16 1.18 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.819 179.285 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -104.18 121.27 42.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.815 -179.175 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -89.46 176.51 6.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.682 175.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 m -77.43 61.72 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.153 0.501 . . . . 0.0 110.621 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -164.49 155.17 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.711 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.26 110.11 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -76.91 159.97 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -178.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.67 53.65 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.086 0.469 . . . . 0.0 111.376 -173.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -175.19 78.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.229 171.761 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.01 -4.0 4.56 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.697 2.265 . . . . 0.0 112.098 177.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.81 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.4 m -64.87 -12.32 47.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.391 -174.72 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -63.32 -19.82 64.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.637 0.256 . . . . 0.0 111.456 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.45 19.35 15.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 111.255 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.7 p -55.62 -46.49 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.452 -179.701 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.42 -31.3 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 -179.249 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.03 -48.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.185 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.4 m -62.64 -37.69 87.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.062 177.533 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.53 -40.64 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.394 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -60.65 -33.81 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.946 176.351 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' A' ' 36' ' ' ARG . 80.3 mt -87.7 6.83 32.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.469 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.28 43.95 4.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.701 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.3 m -117.48 -176.53 3.03 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.899 178.014 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.13 -150.8 27.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.206 179.154 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.25 149.14 97.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 111.526 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.81 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 59.5 Cg_endo -80.39 123.47 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.012 2.474 . . . . 0.0 112.639 179.197 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.87 -46.91 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.954 -177.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 m -133.98 143.22 48.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.003 -175.267 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.98 99.49 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.08 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.87 -153.49 9.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.028 -177.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.47 83.53 2.21 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.883 2.389 . . . . 0.0 112.777 -178.307 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 1.01 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 83.4 m-85 -112.74 136.63 52.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.644 HD12 ' HG3' ' A' ' 47' ' ' GLN . 87.6 mt 67.26 167.61 0.24 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.771 0.669 . . . . 0.0 110.996 -176.562 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.436 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 63.2 mttp -142.29 126.91 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -177.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 m -126.46 -41.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 110.329 175.154 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.436 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 67.9 m-85 61.81 14.53 6.31 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.05 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -87.62 108.79 22.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 178.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.37 -6.63 18.03 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.945 2.43 . . . . 0.0 112.483 -176.514 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -84.21 -22.06 31.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.097 178.754 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 m -108.97 -36.65 6.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.878 -178.127 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -84.17 150.75 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.084 -175.482 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.531 HD12 HD12 ' A' ' 52' ' ' LEU . 36.3 pt -130.05 147.82 33.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.963 177.788 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.467 HG13 ' HG ' ' A' ' 120' ' ' SER . 24.6 mt -112.3 126.55 69.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 173.253 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.0 t -112.64 148.37 34.77 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.742 -175.065 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.35 164.05 12.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.259 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.9 -148.66 17.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.315 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -82.71 142.53 31.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.523 0.329 . . . . 0.0 110.912 -176.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.24 105.7 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.581 -179.47 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 -17.45 7.28 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.178 -178.319 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.3 t -91.02 123.13 34.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.0 110.702 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.432 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 90.8 m-85 -114.39 26.57 10.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.186 -179.476 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -84.41 -14.16 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.37 -176.304 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -140.2 75.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.182 179.359 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 10.1 m -113.06 151.54 30.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.781 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.2 p -136.06 165.63 25.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.932 0.396 . . . . 0.0 110.647 -179.182 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.76 138.58 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.09 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.467 ' HG ' HG13 ' A' ' 106' ' ' ILE . 8.4 m -67.24 103.18 1.18 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.691 -175.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -87.71 34.04 0.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.428 0.632 . . . . 0.0 110.317 174.867 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -143.8 148.76 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.36 -179.184 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -94.41 63.6 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.906 0.86 . . . . 0.0 111.008 -172.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -164.13 123.56 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.892 171.42 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.1 t -165.55 130.26 2.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 0.0 111.015 -177.52 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -111.32 132.71 54.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.48 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 47' ' ' GLN . 3.3 p -68.12 140.15 56.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.169 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 1.01 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -91.59 113.25 4.3 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.684 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' A' ' 37' ' ' LEU . 45.0 tp -105.66 131.71 52.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.909 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.9 m -124.33 105.99 9.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.005 178.159 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.1 m -105.68 154.64 20.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 -178.56 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.0 mt -64.46 141.59 58.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.275 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.872 -179.366 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.062 0.458 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.0 m -90.3 142.41 27.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.262 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.659 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -79.02 18.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 111.491 -176.62 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -105.63 -13.99 15.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.767 173.056 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -77.57 137.09 63.35 Favored Pre-proline 0 C--O 1.231 0.112 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -176.497 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -48.24 -50.18 12.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.297 2.665 . . . . 0.0 113.655 -172.409 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.02 12.33 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.024 -171.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 91.8 t80 -67.15 113.47 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.868 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.9 121.72 41.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.223 0.535 . . . . 0.0 111.073 -175.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.57 148.99 43.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.28 175.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.33 159.14 41.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.909 0.385 . . . . 0.0 110.095 -178.498 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 130' ' ' LEU . 86.9 mt -111.93 138.62 48.31 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.301 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 61.7 p -60.8 155.68 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.315 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.688 ' NH1' ' HZ3' ' A' ' 43' ' ' LYS . 18.3 mmm180 -53.97 -55.41 27.37 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.162 0.288 . . . . 0.0 110.67 -175.26 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 53.65 -95.21 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.901 0.751 . . . . 0.0 112.296 173.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -136.88 -24.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.751 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 39.4 t -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.359 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.688 ' HZ3' ' NH1' ' A' ' 39' ' ' ARG . 27.8 mmmt -77.71 11.42 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -173.714 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 1.0 OUTLIER -145.19 22.47 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.339 179.381 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.751 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 10.1 pt20 -155.28 112.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.403 0.62 . . . . 0.0 110.625 176.203 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.12 -161.08 28.49 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.385 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.5 mp0 -73.47 141.99 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.86 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -89.3 109.64 20.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 0.0 110.795 -177.081 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.8 120.69 43.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.408 174.067 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.53 152.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -176.749 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -89.53 104.65 17.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.379 179.314 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.596 HD12 HD13 ' A' ' 105' ' ' ILE . 90.1 mt -85.55 177.99 7.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.1 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.47 48.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.565 0.698 . . . . 0.0 110.237 -178.029 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -167.33 -36.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.528 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.01 -168.89 42.02 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.027 177.621 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -86.39 131.66 34.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.723 0.297 . . . . 0.0 110.286 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -140.11 141.9 36.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 -179.318 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptm -80.22 136.77 36.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.763 -179.657 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -84.86 143.54 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.59 145.25 31.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.139 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 68' ' ' SER . 92.8 p -81.31 56.27 2.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.197 0.523 . . . . 0.0 111.201 -175.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -156.0 46.96 0.47 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.298 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 m -120.14 161.76 20.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.236 -175.554 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.12 31.04 20.95 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.471 0.482 . . . . 0.0 112.28 175.489 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 27.5 73.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.451 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -104.81 146.02 29.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.98 0.419 . . . . 0.0 110.519 178.43 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.1 m -74.45 171.22 14.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.277 -178.79 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 61' ' ' SER . 19.8 m -77.98 -5.94 52.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.216 -176.318 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -95.31 149.22 21.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 175.339 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.09 115.62 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 -176.456 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.9 p90 -77.45 166.85 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.607 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.05 27.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.093 -171.66 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.1 65.09 68.42 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -177.163 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -92.34 -13.3 1.59 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.687 2.258 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.783 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 12.4 p -75.43 7.17 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.105 -175.864 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -82.62 -19.31 38.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.159 0.504 . . . . 0.0 110.188 178.731 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.13 14.48 23.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.338 -175.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 43.7 m -53.54 -36.71 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.288 179.522 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.83 -37.78 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.822 -178.524 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.55 -47.39 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.814 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 23.4 m -59.89 -41.98 92.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.156 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 78' ' ' SER . 98.6 mt-30 -62.36 -43.02 99.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.166 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -73.91 -13.89 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.471 -178.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.29 10.08 35.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.611 172.37 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 62.41 38.74 12.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.335 -178.895 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.64 174.96 5.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.109 178.323 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.81 -109.52 0.85 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.185 -177.041 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.16 153.68 37.89 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 -174.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.783 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.3 Cg_endo -82.25 104.99 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.646 2.23 . . . . 0.0 111.483 175.269 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.96 -36.98 75.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.414 -176.266 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.9 m -154.74 149.48 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.138 -178.541 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.802 HD11 HD13 ' A' ' 130' ' ' LEU . 9.1 tt -148.59 117.73 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.075 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.74 -143.95 10.73 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.03 99.56 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.191 1.928 . . . . 0.0 111.763 178.253 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 75.2 t80 -97.63 -56.51 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.13 -178.367 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 30.6 mt -129.61 -178.76 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.028 178.425 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 61.2 mttp -123.76 57.36 1.19 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.15 0.5 . . . . 0.0 110.25 -175.793 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -67.48 -46.33 73.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.457 178.694 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 39.5 m-85 53.15 82.82 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.879 179.333 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 m -109.0 86.98 4.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 7.8 Cg_exo -73.39 53.27 2.57 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.455 2.77 . . . . 0.0 112.778 -174.474 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -156.73 -59.9 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.302 176.123 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -82.86 -12.37 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -177.342 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 27.2 t -69.84 139.44 53.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.596 HD13 HD12 ' A' ' 52' ' ' LEU . 31.6 pt -123.57 129.63 74.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.293 0.568 . . . . 0.0 111.671 -177.306 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.0 mt -96.82 119.23 44.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 167.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.674 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 6.4 t -109.72 136.57 48.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.126 0.489 . . . . 0.0 110.848 -174.686 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -105.28 149.91 25.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.102 -178.631 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.82 -139.49 10.78 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.144 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.93 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -109.86 134.66 51.82 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.826 -0.22 . . . . 0.0 110.699 -178.688 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.95 103.22 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.932 0.77 . . . . 0.0 110.796 177.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.659 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 134.01 -20.94 3.98 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.337 -177.104 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 9.5 t -127.04 126.05 42.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 -178.221 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -90.51 71.93 6.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 0.0 109.378 176.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -82.83 -59.84 2.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.421 -176.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -117.45 78.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.574 -173.515 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.674 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 23.6 m -96.6 132.34 42.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 -177.667 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.8 m -111.54 138.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.134 0.492 . . . . 0.0 111.549 -176.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.74 ' HD1' ' NH1' ' A' ' 121' ' ' ARG . 3.4 t-80 -71.65 110.68 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.0 m -112.81 132.21 55.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.251 0.548 . . . . 0.0 112.206 -168.115 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.74 ' NH1' ' HD1' ' A' ' 119' ' ' HIS . 9.5 mpt_? -99.53 46.56 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.644 175.567 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -109.96 144.93 37.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.18 0.514 . . . . 0.0 111.927 -174.061 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.28 4.63 10.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.122 173.003 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mtt -80.33 -8.28 59.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.448 0.642 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.52 146.41 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -90.92 155.34 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.956 0.408 . . . . 0.0 110.388 -173.736 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -73.78 122.55 22.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.713 -177.615 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' ' 61' ' ' SER . 8.2 tt -82.29 125.83 31.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.279 0.562 . . . . 0.0 110.506 -176.297 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -124.78 158.61 19.33 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.792 177.216 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.802 HD13 HD11 ' A' ' 92' ' ' LEU . 58.1 tp -121.99 126.19 48.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.551 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 m -108.44 101.73 10.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.297 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.6 m -102.45 134.25 46.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.804 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.02 111.22 2.77 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.689 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.249 -179.287 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -119.52 153.03 35.99 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.423 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -74.22 12.27 0.77 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.757 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -109.76 -6.15 15.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.984 0.421 . . . . 0.0 109.997 177.443 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -75.54 141.79 73.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 -178.889 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.58 -50.62 13.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.732 2.288 . . . . 0.0 112.774 -172.427 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -97.11 20.26 11.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.948 -172.335 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 60.1 t80 -64.74 129.71 40.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.881 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.591 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 31.1 mm-40 -103.66 116.69 32.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -175.72 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.35 154.42 40.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.169 178.71 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -152.99 164.0 38.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.402 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -110.21 61.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.94 0.4 . . . . 0.0 110.441 178.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.487 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 74.0 p 47.69 -163.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.283 178.651 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -104.84 39.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.505 176.23 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 p -59.59 -73.38 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.933 -174.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -170.38 -61.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.307 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 26.7 t -100.77 151.54 21.56 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.299 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.894 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -88.23 9.51 22.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.796 0.332 . . . . 0.0 110.512 -179.111 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.6 m -120.07 12.92 12.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.985 176.605 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -153.37 138.9 17.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.452 173.346 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.77 -151.32 23.51 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.903 178.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.432 ' HB2' HG21 ' A' ' 38' ' ' THR . 24.9 mp0 -102.13 136.45 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.717 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 tp -78.95 113.04 16.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.534 -175.045 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' HA ' ' A' ' 38' ' ' THR . 48.8 mt-10 -106.4 136.77 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.209 171.27 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.85 153.13 29.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.072 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.8 t80 -95.47 109.8 21.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.436 178.795 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -95.93 -175.58 3.45 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.214 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.04 -30.29 70.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.264 0.554 . . . . 0.0 109.619 178.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.58 -3.98 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.015 178.411 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.4 -162.36 12.68 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.827 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -80.2 129.16 34.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.548 0.213 . . . . 0.0 110.643 -179.445 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -144.76 151.11 38.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.831 178.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.452 ' O ' HG12 ' A' ' 105' ' ' ILE . 77.6 mtp -80.98 144.22 31.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.269 -177.516 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.65 132.76 35.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.654 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.16 139.9 30.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.5 m -63.89 -19.29 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.058 -175.852 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -87.08 54.52 3.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 0.0 109.74 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -120.69 153.22 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -179.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 57.84 -100.34 0.11 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.742 177.169 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.61 31.82 2.7 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 178.328 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -104.04 125.83 50.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.057 0.456 . . . . 0.0 110.815 -179.489 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -95.43 177.29 5.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.423 ' HA ' ' CG ' ' A' ' 94' ' ' PRO . 72.5 m -79.19 59.94 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 110.165 177.633 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -157.07 168.04 28.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -90.12 106.26 18.36 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -69.9 150.33 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.169 178.399 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.66 -33.57 47.67 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.55 -1.204 . . . . 0.0 113.398 -169.207 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.55 85.03 48.39 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 -175.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.82 -7.4 11.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.825 2.35 . . . . 0.0 111.967 178.078 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.2 m -89.13 44.93 1.24 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.622 -174.845 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -11.67 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.358 176.647 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.04 21.74 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.054 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 m -56.6 -36.07 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.234 -179.61 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 59.8 tptt -58.65 -42.46 88.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 177.745 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.74 -48.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.18 179.629 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.12 -37.27 76.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.115 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -66.47 -40.85 89.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 24.7 mmm180 -67.29 -27.24 67.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.768 0.318 . . . . 0.0 110.482 178.354 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 43' ' ' LYS . 61.3 mt -88.81 5.41 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 178.304 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.12 49.4 3.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.181 177.31 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -136.5 176.19 8.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.394 176.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.97 -152.98 9.16 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.985 -177.099 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.42 155.56 92.6 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 122.546 0.339 . . . . 0.0 111.28 -174.805 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.9 Cg_exo -71.87 116.45 4.71 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.094 2.529 . . . . 0.0 112.111 177.286 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.43 -48.73 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.471 -179.043 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 p -142.08 145.74 34.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 -177.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tt -153.15 119.11 5.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.84 -153.99 25.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.75 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.423 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 38.5 Cg_exo -61.66 100.96 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.919 2.412 . . . . 0.0 111.752 179.255 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.813 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -94.5 -37.75 11.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -175.894 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.76 136.42 46.33 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.936 -176.762 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.76 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 0.0 OUTLIER -89.13 60.3 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.009 0.909 . . . . 0.0 109.561 174.515 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 m -65.88 -44.12 86.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.163 -174.454 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 53.13 61.7 3.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.09 0.471 . . . . 0.0 110.81 -175.767 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.0 m -148.03 97.39 3.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.012 0.434 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 123' ' ' ASP . 87.9 Cg_endo -84.13 48.25 2.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.812 2.341 . . . . 0.0 112.364 -178.928 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -127.33 28.36 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 110.003 -178.759 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 t -174.43 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.991 -179.334 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 p -83.11 149.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.231 -178.748 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 58' ' ' MET . 29.3 pt -126.85 150.86 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.208 178.391 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.3 mt -110.03 124.2 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.807 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 1.7 t -106.76 147.6 29.45 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.11 -177.163 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -118.22 152.81 34.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -177.671 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.07 -128.72 7.15 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.488 -179.422 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -112.77 139.07 48.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.518 0.199 . . . . 0.0 110.622 -176.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.41 114.11 1.14 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.122 179.398 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.6 -7.12 31.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.325 -179.563 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -109.46 117.54 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 178.056 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.12 46.1 0.93 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.785 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 p -63.33 -52.93 59.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.723 -174.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -144.73 95.46 2.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.184 0.516 . . . . 0.0 110.073 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 5.6 m -99.79 146.66 26.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.715 179.608 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -112.2 142.59 44.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -175.299 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -74.68 109.46 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.681 177.845 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -63.01 127.1 29.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.504 -176.115 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -102.1 8.23 40.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 175.061 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -109.77 134.55 51.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 p30 -78.23 -7.98 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.028 -177.256 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.0 tpt -72.94 78.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.642 175.63 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 t -146.4 142.68 28.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.057 -175.821 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.76 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 28.2 m170 -117.68 132.97 56.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.049 175.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.2 m -70.25 126.68 30.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 61' ' ' SER . 24.1 tp -71.66 116.83 12.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 -178.397 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.813 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.61 139.97 14.92 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.117 -179.482 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 tp -126.17 136.45 52.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.9 m -132.13 108.3 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.58 177.561 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 27.1 m -99.83 143.24 30.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.783 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.42 103.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 111.532 -177.406 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.7 176.126 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' N ' ' HB2' ' A' ' 115' ' ' SER . 97.0 mt . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 32.7 t -100.32 157.3 16.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -177.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.49 13.78 0.9 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 111.347 178.774 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -106.77 -2.96 20.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.032 171.001 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.99 124.54 74.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.329 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.73 -17.78 60.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.111 2.541 . . . . 0.0 112.627 -176.793 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -106.33 19.26 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.291 179.125 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.28 121.38 20.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.968 177.453 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.65 112.84 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -176.125 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 161.94 39.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -141.1 154.46 45.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.3 mt -107.39 137.49 45.33 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 171.455 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.0 p -56.28 141.4 41.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.589 -176.128 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -72.12 78.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.01 179.11 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.4 p -88.56 -44.98 10.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.307 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -169.66 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.261 -175.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 30.0 t -139.3 144.84 38.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.159 173.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HE2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -72.63 -0.17 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.732 0.301 . . . . 0.0 110.966 -176.607 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.836 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 79.4 m -112.37 21.35 15.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.823 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 13.8 pt20 -157.81 132.99 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.55 174.749 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.08 -163.44 30.15 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.69 144.24 49.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.722 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 tp -88.11 112.39 22.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.991 0.424 . . . . 0.0 110.449 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.77 124.68 52.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.624 175.813 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.35 154.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -176.153 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -94.6 114.18 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.22 -179.679 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.634 HD13 HD13 ' A' ' 105' ' ' ILE . 88.6 mt -108.45 -177.16 3.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.098 178.211 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.37 -34.6 66.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.904 177.328 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -100.5 24.83 8.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -177.215 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.17 -165.36 19.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.259 174.383 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -75.02 134.59 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -136.01 149.28 48.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.111 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.774 ' HE2' ' HB ' ' A' ' 98' ' ' THR . 75.5 mtp -86.94 130.44 34.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -80.84 125.17 39.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.063 0.458 . . . . 0.0 110.439 178.458 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.42 140.46 29.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.098 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.702 ' HA ' HD11 ' A' ' 128' ' ' LEU . 86.2 p -74.05 0.62 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.764 0.316 . . . . 0.0 111.762 -175.318 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 7.7 mm-40 -88.51 10.65 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.071 176.27 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 m -82.06 134.82 35.37 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 70.56 -44.69 0.58 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.937 0.895 . . . . 0.0 111.13 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.78 162.89 31.05 Favored Glycine 0 N--CA 1.437 -1.278 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 174.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -79.5 87.99 5.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.387 0.594 . . . . 0.0 110.079 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 11.7 m -79.91 69.23 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.873 -176.064 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -83.96 -11.11 57.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.802 0.811 . . . . 0.0 109.2 171.181 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -122.36 161.31 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.894 177.212 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.07 136.86 33.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.355 . . . . 0.0 110.579 -178.43 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -85.94 137.13 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.107 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.85 23.0 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.632 0.729 . . . . 0.0 110.846 -176.772 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -131.92 70.35 80.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.408 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' GLN . 92.9 Cg_endo -83.81 -15.94 6.79 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.337 2.025 . . . . 0.0 113.138 -172.321 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.533 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.1 m -78.58 22.99 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.468 -175.865 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' PRO . 87.6 mm-40 -77.79 -21.96 50.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.111 0.481 . . . . 0.0 109.847 175.032 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.04 35.16 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.437 -177.278 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -59.79 -40.2 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.566 -178.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 38.5 mmtm -62.6 -29.69 70.79 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.56 -50.5 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.527 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 70.1 m -60.67 -35.14 75.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.676 177.074 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -36.71 84.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 178.168 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 13.9 mmm180 -67.4 -35.27 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.538 0.209 . . . . 0.0 110.614 178.461 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.09 -0.43 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.621 177.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 61.63 52.01 3.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.809 178.574 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.03 -179.58 4.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.02 -170.41 33.06 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.621 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.475 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.4 t70 -69.72 146.04 95.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.355 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 53.2 Cg_exo -47.58 125.05 10.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.749 2.966 . . . . 0.0 113.051 178.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.59 -44.91 10.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.441 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 m -145.56 150.41 36.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.657 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.775 HD13 HD11 ' A' ' 130' ' ' LEU . 10.3 tt -147.99 134.98 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.474 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.82 -153.87 25.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.899 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.81 109.79 2.2 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.148 1.899 . . . . 0.0 111.453 178.328 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.836 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.1 t80 -94.09 -53.44 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.862 -173.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.696 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 23.8 tp -144.96 -178.71 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.851 -176.045 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.696 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 96.1 mttt -133.32 86.43 2.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.555 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.774 ' HB ' ' HE2' ' A' ' 58' ' ' MET . 10.2 m -81.96 -26.64 33.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.306 -178.398 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 79.1 m-85 52.75 67.45 0.99 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 178.692 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.7 m -124.78 81.49 61.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.629 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.43 -40.63 53.58 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.632 2.888 . . . . 0.0 114.331 -171.325 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.4 -41.12 96.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 0.0 111.222 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 m -89.06 -28.62 20.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.788 -173.1 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 34.3 p -75.18 140.79 43.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.848 0.356 . . . . 0.0 111.335 -177.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.634 HD13 HD13 ' A' ' 52' ' ' LEU . 37.6 pt -129.47 153.18 38.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.6 mt -117.87 124.75 73.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.77 174.118 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -98.57 150.27 21.89 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.198 179.292 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -149.93 166.71 28.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.431 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.63 -81.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 179.627 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.36 127.15 48.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.731 0.301 . . . . 0.0 110.771 -176.403 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.89 125.2 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.932 -177.584 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 95.9 -16.66 60.74 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.768 177.498 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -88.59 105.08 17.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.014 0.435 . . . . 0.0 110.521 -178.217 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.474 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 98.1 m-85 -90.88 16.43 9.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.257 179.164 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 26' ' ' LEU . 7.0 t -95.4 2.11 54.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.726 -179.905 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -138.97 69.86 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 0.0 109.323 -178.731 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 13.4 m -131.41 166.15 21.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.373 -176.162 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.9 m -148.68 140.16 23.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.395 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.84 68.93 7.28 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.047 0.927 . . . . 0.0 111.268 -178.509 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.2 t -69.59 112.75 6.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.85 177.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -82.35 72.4 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.017 -176.357 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.17 164.14 11.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.048 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -106.27 28.51 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -177.567 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.76 24.98 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 176.513 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.5 t -91.96 120.79 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.678 -171.723 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.459 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 45.6 m80 -107.42 136.34 47.37 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 175.038 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -76.92 120.41 22.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.994 0.426 . . . . 0.0 110.59 -175.045 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.7 tt -76.99 134.0 38.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.536 -177.269 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.836 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -129.65 154.35 20.38 Favored Glycine 0 N--CA 1.439 -1.111 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.637 -178.26 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.775 HD11 HD13 ' A' ' 92' ' ' LEU . 57.7 tp -124.12 132.09 53.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.909 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 m -113.57 102.68 10.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.198 178.521 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.836 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 62.8 m -86.35 148.08 25.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.388 179.364 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 tt -73.61 94.55 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.776 -178.263 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 88.4 mt . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 29' ' ' TYR . 69.1 p -132.49 164.9 25.55 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.23 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.727 178.716 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.2 m-85 -132.9 12.8 4.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.474 173.633 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -99.74 139.96 21.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.813 176.336 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.28 -13.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.096 2.531 . . . . 0.0 112.333 -179.434 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.34 -6.91 57.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 178.311 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -80.16 116.87 20.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.019 0.438 . . . . 0.0 110.777 -176.202 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -119.87 135.01 55.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.077 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.507 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -142.31 156.24 45.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.735 -178.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 8.6 ptp180 -147.27 155.64 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.405 178.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.84 91.2 3.57 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -58.17 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -160.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -137.33 90.55 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.265 -173.067 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.6 p -118.21 -71.43 0.74 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.254 0.55 . . . . 0.0 110.275 176.547 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.94 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.908 -178.803 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.548 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 32.5 t -129.64 168.08 17.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.348 178.572 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -97.57 -1.24 44.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.431 -174.078 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 134' ' ' GLU . 76.5 m -117.04 18.15 14.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 1.4 pp0? -161.81 146.12 12.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 177.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.72 28.06 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.85 176.478 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.576 ' HG3' HD11 ' A' ' 96' ' ' LEU . 85.6 mt-30 -66.69 124.46 22.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.71 0.291 . . . . 0.0 110.455 179.138 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -82.36 106.45 14.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.5 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -109.33 125.32 52.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.686 174.288 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.69 151.96 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.561 -177.471 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -95.24 119.14 33.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.11 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.5 mt -114.84 -173.04 2.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -46.41 -45.11 17.74 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.149 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 17.61 20.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.042 0.448 . . . . 0.0 111.463 -173.472 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.28 -161.6 12.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.611 175.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.507 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -77.57 141.24 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -176.384 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -142.06 144.32 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.487 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 79.5 mtp -80.73 125.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.987 179.524 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.84 124.61 35.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.546 -179.575 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.54 135.91 33.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.551 178.452 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -69.76 -8.88 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.042 0.449 . . . . 0.0 111.253 -177.445 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.751 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 11.1 mm-40 -77.54 -7.67 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 177.472 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -66.95 150.5 49.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.801 -179.684 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.3 m0 73.14 -53.6 0.7 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.063 172.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.77 41.79 0.46 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.883 -1.151 . . . . 0.0 114.004 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.751 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER 37.76 83.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.352 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.0 m -102.92 110.71 22.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -97.36 -12.41 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.92 165.88 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.278 178.056 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -91.2 150.67 21.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.994 179.797 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -97.18 140.27 31.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 -178.649 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.33 -19.07 47.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.766 -178.486 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -126.82 90.4 49.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 -177.561 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -96.56 18.59 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.241 2.627 . . . . 0.0 112.355 177.498 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.513 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.6 m -71.04 -1.45 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.814 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.42 -6.04 55.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.257 0.551 . . . . 0.0 110.514 174.623 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.41 10.79 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -56.05 -32.96 64.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 45.2 mmtm -67.32 -32.45 73.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.087 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.2 t -65.31 -48.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.291 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.1 m -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.147 176.67 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -45.28 95.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.061 178.819 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 23.9 mmm180 -66.89 -22.75 65.96 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.779 -178.707 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.47 0.44 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.793 175.138 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.09 42.48 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -178.252 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.1 m -114.06 172.46 6.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.658 177.697 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.65 -164.57 31.48 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.066 -177.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.62 149.09 64.06 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.893 0.477 . . . . 0.0 111.936 -176.112 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.513 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 65.1 Cg_endo -76.3 129.59 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.09 2.527 . . . . 0.0 112.398 -179.412 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 133' ' ' LEU . 81.6 mt -98.09 -43.02 7.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.558 -176.09 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.43 ' O ' HD12 ' A' ' 130' ' ' LEU . 45.9 m -148.37 148.86 30.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 111.223 -176.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.617 HD11 HD13 ' A' ' 130' ' ' LEU . 23.1 tp -141.37 131.71 25.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.536 178.246 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.91 -173.07 41.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.249 178.232 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.98 99.56 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.646 2.231 . . . . 0.0 111.256 176.331 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.47 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 67.0 t80 -86.9 -38.79 16.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -173.86 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' ' 47' ' ' GLN . 90.1 mt -131.89 150.69 52.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 -177.751 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -110.04 83.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.537 178.879 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -89.34 -31.65 17.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.085 -174.278 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 47.29 65.76 1.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 111.566 -176.849 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 m -129.95 90.5 42.49 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.013 0.435 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -78.42 63.7 8.43 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.429 2.753 . . . . 0.0 112.132 -175.73 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -141.04 -72.52 0.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.448 -179.481 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 m -81.01 -16.83 52.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.182 -176.732 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 52.9 p -77.89 147.63 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -177.112 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.02 139.89 49.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 tt -107.77 121.66 61.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 170.589 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.02 153.95 23.88 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.661 -174.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.08 148.51 48.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.449 -179.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.35 -96.01 0.2 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.819 -177.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -140.27 158.88 43.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.677 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.83 116.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.318 -177.506 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.85 3.28 64.21 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.919 177.53 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.6 t -91.9 126.21 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.819 0.343 . . . . 0.0 110.5 178.734 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.513 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 93.1 m-85 -124.89 23.49 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 178.15 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 8.3 t -76.79 -22.86 53.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.21 -172.686 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -149.56 88.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.471 0.653 . . . . 0.0 110.082 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 4.5 m -122.52 159.11 28.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.562 -177.678 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -129.66 144.63 51.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.49 0.186 . . . . 0.0 110.51 -179.59 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.58 125.45 26.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 110.075 179.707 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.1 p -76.68 110.85 11.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.98 -173.074 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -94.85 -14.88 24.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.169 0.509 . . . . 0.0 109.982 175.655 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -92.02 117.33 29.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.331 174.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -78.91 64.47 3.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.817 -171.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.1 mmt -109.34 23.97 13.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.167 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.789 -164.75 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -127.24 134.3 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 171.302 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -76.98 120.89 22.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.031 0.443 . . . . 0.0 111.329 -173.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 tp -76.49 135.01 39.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.04 -178.956 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -131.76 150.96 19.64 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.642 177.648 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.617 HD13 HD11 ' A' ' 92' ' ' LEU . 63.4 tp -123.24 137.56 54.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.613 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.0 m -112.03 111.97 23.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.327 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.16 153.63 23.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.046 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 90' ' ' LEU . 32.2 mt -56.41 122.89 12.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.558 ' HG2' ' HB2' ' A' ' 44' ' ' CYS . 15.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.219 -179.455 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 m -148.75 155.75 41.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.698 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.88 21.79 0.3 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.059 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -116.09 -0.95 12.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 174.245 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.74 143.61 30.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.56 -25.09 15.4 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.948 2.432 . . . . 0.0 112.252 -177.109 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.61 -1.95 54.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -90.98 99.16 12.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.139 0.495 . . . . 0.0 111.142 -178.308 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.57 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.907 179.721 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HA ' HD22 ' A' ' 84' ' ' LEU . 4.4 ptp180 -143.53 157.68 44.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.444 . . . . 0.0 110.376 -178.486 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.7 mt -102.21 120.46 40.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 168.691 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.5 p -57.71 152.35 15.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.632 0.73 . . . . 0.0 112.846 -169.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -70.14 55.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.212 176.661 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m -95.84 -27.24 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.197 -177.831 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -161.2 -65.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 -177.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.439 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 35.1 t -136.38 155.49 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.116 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 84' ' ' LEU . 12.6 pttm -70.79 -11.72 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -176.368 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.47 ' HB2' ' OE2' ' A' ' 134' ' ' GLU . 77.6 m -106.97 -5.85 17.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.252 -178.087 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 12.4 pt20 -151.48 114.81 4.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.528 0.68 . . . . 0.0 111.267 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.52 -153.0 10.18 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.007 -179.432 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' NE2' HD11 ' A' ' 96' ' ' LEU . 72.2 mt-30 -85.76 135.93 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.575 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.78 112.58 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 0.0 110.076 178.738 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -115.37 128.97 56.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -119.46 147.54 23.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.025 0.441 . . . . 0.0 111.386 -174.875 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -92.02 118.27 30.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.602 178.437 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -109.29 174.14 6.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.386 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -54.74 -38.05 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.528 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -101.12 26.73 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.291 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.83 -175.97 16.82 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.832 172.485 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.05 137.28 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 -179.591 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -132.96 143.98 49.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.276 -179.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.88 139.04 37.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.47 131.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 179.522 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 t -96.77 148.05 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.666 178.112 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.6 p -66.23 -13.09 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 -177.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 66' ' ' ARG . 78.2 mm-40 -81.84 11.97 4.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 111.287 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -82.11 144.99 30.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 65.85 9.85 6.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.453 0.701 . . . . 0.0 111.447 179.366 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.69 151.43 5.46 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 1.3 mpp_? -78.99 84.7 4.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.343 0.592 . . . . 0.0 111.225 -178.816 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 129.6 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 174.484 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -89.49 -22.68 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.487 -176.121 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 32.6 mmtp -108.11 -81.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.43 -177.297 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.93 173.08 13.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -174.522 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -102.68 157.49 16.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.323 177.147 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.24 -15.97 61.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.817 -167.399 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.526 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 6.4 t70 -138.81 87.62 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.015 -177.586 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.53 -21.46 25.83 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.845 2.363 . . . . 0.0 111.8 176.273 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 p -69.87 -3.71 17.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.244 -177.617 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 12.6 mm-40 -80.37 -17.5 51.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 172.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.37 7.54 45.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.427 -175.138 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 m -55.98 -33.99 65.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.342 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.2 mmtm -65.21 -34.37 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.306 179.858 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -64.67 -44.47 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.9 m -59.03 -38.85 80.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.12 -38.63 91.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.498 178.122 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 25.2 mmm-85 -65.82 -26.16 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.331 178.84 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 36' ' ' ARG . 4.5 mm? -92.82 2.14 56.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.244 177.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 64.56 46.99 3.05 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.446 0.641 . . . . 0.0 110.47 -178.273 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.52 179.58 5.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.255 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.55 -164.71 38.25 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.457 -179.546 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.6 151.14 53.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.773 0.429 . . . . 0.0 112.021 -176.38 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.95 117.73 2.29 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.239 2.626 . . . . 0.0 112.979 179.501 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -76.21 -31.05 58.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.05 179.64 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.7 m -154.62 152.38 29.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.239 -176.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 130' ' ' LEU . 25.6 tp -141.57 90.66 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.812 178.564 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 128' ' ' LEU . . . -161.81 -113.87 0.31 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.304 -0.951 . . . . 0.0 113.001 -175.601 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 54.0 Cg_endo -95.9 159.92 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.845 2.363 . . . . 0.0 112.83 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.638 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.0 t80 -142.18 -60.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 175.019 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.617 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 87.8 mt -125.19 143.5 50.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.856 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 10.0 mtmp? -92.71 70.05 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.995 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -71.59 -38.2 70.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.985 -178.378 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 76.8 m-85 50.79 44.41 27.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.863 0.363 . . . . 0.0 111.907 -178.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.4 m -116.4 90.05 28.79 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 121.144 0.497 . . . . 0.0 109.895 177.374 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.99 69.82 3.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 123.363 2.709 . . . . 0.0 112.23 -177.581 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -166.85 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.068 178.312 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 p -72.26 -39.78 68.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.476 179.236 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.4 p -88.53 126.88 35.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.283 175.734 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.2 159.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.332 -176.14 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -113.55 114.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.655 176.404 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.429 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 71.7 m -99.03 146.8 25.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.386 179.559 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -145.87 160.73 41.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 178.239 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.36 -82.01 0.27 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -138.65 143.51 39.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.024 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.41 110.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.301 0.376 . . . . 0.0 110.621 179.315 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.78 -16.27 28.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.95 -178.384 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -96.2 142.67 28.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.429 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 85.5 m-85 -124.53 27.75 6.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.411 179.26 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.3 m -62.46 -32.47 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.03 -174.706 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -136.24 108.62 7.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.032 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 23.5 m -128.05 147.45 50.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.149 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.7 m -128.59 157.77 40.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -68.58 133.05 47.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.43 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -58.31 121.6 11.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.857 -172.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 121' ' ' ARG . 1.6 mmp_? -105.25 0.36 27.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.765 176.27 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.69 122.56 46.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.857 -173.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.83 38.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.965 0.888 . . . . 0.0 111.0 -176.257 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.6 mtt -120.39 18.29 12.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.21 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.52 110.91 9.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.658 -171.617 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.86 134.57 42.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.246 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 m -66.36 116.58 7.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.152 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 92' ' ' LEU . 8.8 tt -62.58 124.93 22.25 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.747 0.654 . . . . 0.0 111.035 -171.581 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.638 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.19 119.78 5.8 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.994 -179.618 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 92' ' ' LEU . 50.5 tp -104.4 115.5 30.48 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.035 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.0 m -101.26 94.54 6.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 -177.103 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.489 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 12.5 m -99.2 150.08 22.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.141 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.21 127.78 33.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.47 ' OE2' ' HB2' ' A' ' 44' ' ' CYS . 20.3 mp0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.739 169.915 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 29' ' ' TYR . 1.5 m -113.33 155.48 25.1 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.24 22.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 111.236 175.687 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.575 ' HE1' ' HA ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -120.54 -4.97 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.964 174.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 8.6 m-20 -75.77 129.45 81.32 Favored Pre-proline 0 CA--C 1.519 -0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.108 178.625 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 83.5 Cg_exo -48.36 -44.62 28.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.389 2.726 . . . . 0.0 113.972 -169.237 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.03 25.67 10.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.354 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -71.4 107.53 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.847 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 72.4 mt-30 -75.14 118.65 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 111.252 -175.35 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.83 149.54 31.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.126 178.13 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -139.07 155.73 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.092 0.472 . . . . 0.0 110.236 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -101.33 130.72 47.55 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 170.699 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -66.42 167.95 9.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.086 0.47 . . . . 0.0 111.351 -174.382 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -81.83 47.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.648 -173.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -67.71 -33.29 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -154.58 -50.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.333 174.947 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -160.5 170.1 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.966 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.704 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.62 -3.17 20.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.841 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.6 m -105.75 5.59 31.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.507 178.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 2.6 pt20 -162.25 123.86 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.986 176.433 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.45 -160.7 34.35 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.332 179.495 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.7 131.08 41.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 128' ' ' LEU . 53.9 tp -78.63 115.0 18.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.086 0.47 . . . . 0.0 110.49 179.176 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -118.95 129.87 55.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' TRP . 35.9 m -120.34 153.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.959 0.409 . . . . 0.0 111.595 -173.278 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.506 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 87.8 t80 -97.5 113.04 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.853 175.811 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.51 -168.42 1.63 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.919 178.041 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.759 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.31 -41.19 72.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.416 0.627 . . . . 0.0 110.094 177.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -88.33 20.26 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.715 -178.309 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 -159.45 28.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.146 173.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 50' ' ' VAL . 88.7 m95 -81.75 117.25 21.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.048 0.452 . . . . 0.0 110.655 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.81 142.4 46.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 179.613 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtp -71.62 143.2 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.014 178.488 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.77 129.88 47.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 0.0 110.477 178.643 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.6 136.43 36.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.961 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 128' ' ' LEU . 50.7 p -66.5 -7.0 16.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.829 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.654 ' HB3' ' HG3' ' A' ' 66' ' ' ARG . 5.9 mm100 -89.6 15.56 9.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -176.489 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.4 m -79.42 143.06 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.275 -177.203 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.465 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 4.6 m-90 60.02 17.61 6.87 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.517 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.29 93.65 0.1 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.654 ' HG3' ' HB3' ' A' ' 62' ' ' GLN . 35.9 ttp180 -73.45 82.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.5 0.667 . . . . 0.0 110.555 -178.223 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -127.64 142.17 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.382 -179.681 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 62.29 5.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 176.877 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -140.82 144.71 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.835 -175.344 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.733 ' HA ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -66.3 129.67 40.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.313 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.466 ' HD1' ' HA2' ' A' ' 93' ' ' GLY . 90.6 m95 -69.43 127.19 32.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.648 . . . . 0.0 111.396 -175.104 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.82 -23.43 63.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.727 -174.62 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -121.91 88.57 47.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.529 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.04 -14.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.851 2.367 . . . . 0.0 112.014 177.123 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.416 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 50.7 m -65.95 -21.84 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.739 -175.265 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HA ' ' HE1' ' A' ' 29' ' ' TYR . 15.8 mm100 -65.75 -13.04 58.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 176.061 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.12 13.45 27.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 110.892 177.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 40.9 t -56.55 -43.62 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.811 -177.609 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -62.2 -27.2 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.329 -175.461 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.433 ' O ' HD21 ' A' ' 84' ' ' LEU . 95.9 t -64.97 -52.14 57.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.09 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.2 m -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.477 177.833 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 78' ' ' SER . 31.9 mm-40 -62.14 -47.22 85.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.638 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -70.04 -21.49 63.17 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.698 0.285 . . . . 0.0 111.726 179.708 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 80' ' ' VAL . 3.9 mm? -82.58 -3.15 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.577 173.515 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 66.94 31.79 6.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -178.205 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.59 -174.69 2.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.25 175.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.58 -143.45 10.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.511 179.193 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.44 153.01 87.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.735 0.302 . . . . 0.0 110.813 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 57.7 Cg_endo -78.69 114.48 3.46 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.932 2.421 . . . . 0.0 111.935 177.397 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.32 -49.32 13.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.084 -176.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.538 ' HB3' ' OE1' ' A' ' 70' ' ' GLN . 54.1 m -144.53 149.62 36.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 -174.894 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 130' ' ' LEU . 34.5 tp -146.58 140.06 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.373 -179.501 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.466 ' HA2' ' HD1' ' A' ' 71' ' ' TRP . . . 147.11 -157.89 27.55 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.552 178.362 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 90.91 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.933 2.422 . . . . 0.0 111.781 177.884 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.926 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.6 t80 -73.42 -75.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.978 -177.533 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 95' ' ' PHE . 6.2 mp -130.92 148.08 52.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.584 176.93 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HD2' ' HB3' ' A' ' 124' ' ' MET . 29.0 ttpp -91.6 90.0 7.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 m -67.58 -27.11 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.821 176.5 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.434 ' HE2' ' HG2' ' A' ' 124' ' ' MET . 17.3 t80 60.03 74.47 0.44 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.468 0.652 . . . . 0.0 110.7 175.416 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 m -139.91 73.19 33.76 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.987 177.813 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 67.52 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.307 2.671 . . . . 0.0 112.794 -176.148 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -172.58 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.622 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.5 t -85.29 -4.5 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.149 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 p -106.33 141.76 37.12 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.545 179.163 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.4 pt -115.24 152.29 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.617 178.538 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.83 127.64 75.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 65.2 m -104.18 147.91 26.91 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.867 -176.674 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -147.25 163.53 36.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.05 -115.77 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.549 -177.533 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.522 ' HB2' ' OG ' ' A' ' 113' ' ' SER . 0.7 OUTLIER -90.67 148.39 22.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.392 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.9 111.89 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -175.51 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 102.8 -7.59 53.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.605 178.521 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.522 ' OG ' ' HB2' ' A' ' 110' ' ' GLN . 50.4 m -77.73 109.91 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 111.631 -179.565 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.465 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 84.4 m-85 -94.59 19.29 10.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.33 0.586 . . . . 0.0 110.007 173.864 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.4 t -91.31 -9.5 44.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.525 -178.025 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -138.07 76.12 1.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.647 -178.379 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 33.6 m -125.64 148.59 48.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.319 -178.011 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -132.11 170.32 15.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -73.64 136.52 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.595 0.236 . . . . 0.0 110.522 -179.108 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 m -84.31 85.48 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 0.0 110.066 179.3 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -96.72 38.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.678 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -96.49 -164.04 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -176.321 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.913 -178.83 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.434 ' HG2' ' HE2' ' A' ' 99' ' ' TYR . 62.8 mtt -105.88 86.19 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.608 -177.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.57 122.99 22.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 173.32 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -95.46 137.42 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.597 178.298 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -73.13 125.58 28.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.726 0.298 . . . . 0.0 110.274 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 61' ' ' SER . 56.8 tp -67.4 111.71 4.21 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.096 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.926 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.95 138.8 14.25 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.984 -177.817 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -123.3 124.51 43.14 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.38 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -108.18 108.81 20.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.332 178.838 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.9 m -106.22 146.58 30.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.87 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.56 125.03 20.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 176.701 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.807 179.914 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.0 m -95.93 155.16 16.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.001 -172.674 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.92 18.0 0.2 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.207 0.527 . . . . 0.0 111.04 176.413 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' SER . 76.4 m-85 -110.7 -6.14 14.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.021 172.857 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -74.83 138.96 73.28 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.39 -1.06 9.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.992 2.462 . . . . 0.0 112.738 -176.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -120.35 14.53 12.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.263 0.554 . . . . 0.0 110.46 178.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -81.85 136.69 35.35 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 179.847 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.46 125.11 39.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.619 -179.153 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.14 161.4 38.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 179.436 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 3.9 ptp180 -146.44 164.48 32.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.632 178.587 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.87 122.44 47.54 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.028 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 16.8 p -64.27 143.68 57.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 40' ' ' SER . 26.6 ptt-85 -41.92 -56.12 2.87 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.118 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 23.7 t 58.88 -78.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 110.68 -174.251 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -143.6 -40.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -125.62 146.16 49.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.534 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.06 23.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -171.932 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 47.5 t -138.92 10.66 2.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.703 0.763 . . . . 0.0 110.181 178.912 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -153.02 135.41 15.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 177.515 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.46 -161.15 31.52 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 119.52 -1.324 . . . . 0.0 112.83 178.577 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.5 mp0 -73.15 130.86 41.19 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.349 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.52 122.75 22.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -178.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -122.48 125.84 46.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.09 150.75 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.005 0.431 . . . . 0.0 111.241 -174.372 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -94.44 106.18 18.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.842 178.363 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -96.32 -172.74 2.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.615 ' HD2' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.46 -33.0 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 -179.639 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -72.57 -45.44 59.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.957 176.805 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.29 -156.01 26.76 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.479 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.401 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.2 m95 -81.16 116.49 21.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 -178.81 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.86 142.42 50.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.0 mtp -76.43 146.42 38.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.951 178.277 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.64 131.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 110.849 -179.642 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.18 144.83 25.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.543 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 95.5 p -75.88 12.36 1.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.91 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -94.65 7.1 46.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.078 0.466 . . . . 0.0 109.925 175.18 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 107' ' ' CYS . 50.4 m -81.92 129.78 34.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.904 -177.87 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 68.42 -62.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 -178.363 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.49 134.63 11.03 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.587 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 3.2 mpt_? -77.65 83.29 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.743 0.782 . . . . 0.0 109.407 -177.456 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 m -82.69 83.41 7.67 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.2 -170.328 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 m -79.81 -25.33 40.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 165.13 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -118.94 166.07 13.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.243 -1.344 . . . . 0.0 107.777 174.484 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -91.3 139.52 30.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.743 0.306 . . . . 0.0 111.112 -174.134 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -85.55 146.57 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.986 177.303 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.97 56.94 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.451 -174.439 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.463 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.4 t70 -156.25 81.13 3.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.986 174.533 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.51 -7.5 13.73 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.855 2.37 . . . . 0.0 111.799 177.087 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 t -59.46 -31.88 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.034 -178.238 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.463 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 84.3 mm-40 -60.58 -26.85 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 111.214 178.937 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.6 8.79 44.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.619 -175.023 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.406 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.4 t -58.85 -33.88 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.077 179.723 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 43.7 mmtm -63.65 -41.84 98.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.085 177.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.01 -46.13 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.208 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 98.1 m -58.58 -38.37 77.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 177.115 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.14 -43.94 93.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.185 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 21.0 mmm180 -67.04 -24.6 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.9 -178.817 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 3.25 55.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.311 177.834 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.41 46.83 9.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.909 0.862 . . . . 0.0 110.354 -178.886 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.9 174.25 6.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 -149.11 3.26 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.701 177.27 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.47 155.7 92.35 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.612 0.244 . . . . 0.0 110.951 178.46 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 2.0 Cg_endo -80.48 120.84 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.094 2.53 . . . . 0.0 111.839 178.231 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.16 -49.95 10.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.862 -178.37 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.9 p -144.96 149.56 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.03 -176.31 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.77 HD11 HD13 ' A' ' 130' ' ' LEU . 26.9 tp -146.5 126.55 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.872 179.675 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.31 -144.66 14.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.228 178.276 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.49 85.75 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.369 2.046 . . . . 0.0 111.536 178.062 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.521 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 77.7 t80 -84.6 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.728 -175.667 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 127' ' ' SER . 41.1 tp -134.3 148.69 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -177.126 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HD2' ' ND1' ' A' ' 126' ' ' HIS . 3.5 mppt? -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 177.413 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -72.74 -31.39 64.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 170.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.4 t80 55.63 70.05 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.582 172.24 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.2 m -150.14 81.37 6.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.96 64.29 2.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.92 2.413 . . . . 0.0 112.505 -179.044 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.441 ' HA ' ' HE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -145.0 -58.21 0.35 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.526 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -74.45 -18.05 60.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.597 178.189 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 p -96.87 144.11 27.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 pt -116.11 164.58 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.22 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -123.22 133.55 68.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.0 t -123.21 158.19 31.39 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.734 -175.235 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -148.19 165.41 31.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.78 -124.03 4.48 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -173.711 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -99.76 135.05 41.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.877 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.6 tp -54.41 111.35 0.77 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.955 -176.451 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.93 -4.11 36.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.673 177.858 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 4.1 t -117.09 118.97 33.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.107 0.479 . . . . 0.0 110.719 -179.731 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.11 51.54 2.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.855 178.646 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -72.54 -37.68 68.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.037 -174.915 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -143.38 95.13 2.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.257 179.879 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 9.3 m -108.74 160.24 16.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.895 -179.902 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.9 m -144.63 172.27 13.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.441 ' HE1' ' HA ' ' A' ' 102' ' ' GLN . 72.4 t60 -66.61 140.26 57.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.593 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -64.93 99.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.311 0.576 . . . . 0.0 111.399 -176.723 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -96.12 17.43 15.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.295 175.226 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -104.37 120.52 41.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.083 -177.802 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.44 -31.23 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.687 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -93.07 63.73 3.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.161 0.505 . . . . 0.0 109.79 176.563 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.6 t -87.87 98.3 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.375 0.607 . . . . 0.0 110.799 -179.119 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . 0.543 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 17.7 m-70 -87.69 133.3 33.86 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.622 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 15.0 m -68.81 129.84 41.08 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.144 179.823 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 tt -75.45 110.83 10.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -109.57 132.91 11.31 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.775 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 92' ' ' LEU . 60.7 tp -111.61 133.63 53.73 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.331 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.5 m -122.39 106.27 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.192 178.552 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 20.4 m -95.52 158.9 15.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.004 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.61 46.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.813 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 6.8 tp10 . . . . . 0 C--O 1.253 1.255 0 O-C-N 123.817 0.698 . . . . 0.0 110.898 177.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD13 ' HE3' ' A' ' 53' ' ' LYS . 6.3 mp . . . . . 0 C--O 1.223 -0.3 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 p -109.26 154.6 22.22 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.463 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.87 10.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 111.58 178.845 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.72 -9.29 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.113 172.311 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.638 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 3.1 m-20 -66.51 126.08 91.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 177.347 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.5 Cg_exo -60.22 -24.02 75.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.002 2.468 . . . . 0.0 112.691 -179.034 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -113.03 27.3 9.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.336 179.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.638 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 54.2 t80 -85.2 92.63 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.551 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 29.0 mt-30 -65.39 129.04 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.191 -176.179 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.1 150.86 36.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.129 177.168 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -140.52 152.73 45.8 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.164 0.506 . . . . 0.0 110.455 -178.819 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 97.1 mt -102.1 141.56 34.75 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 170.298 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 38.4 p -58.05 159.02 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.441 178.868 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -74.14 56.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -177.646 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -71.39 -53.35 14.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.949 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -157.6 -61.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.532 . . . . 0.0 109.682 179.273 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 t -131.29 161.19 32.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.786 -176.418 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -72.09 -0.09 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.0 m -101.52 -3.48 28.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.829 179.473 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -157.9 130.99 7.51 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.918 -0.489 . . . . 0.0 111.753 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.87 -161.43 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.223 177.169 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 35.1 tt0 -84.16 138.25 33.1 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.538 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 tp -89.25 117.25 28.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.289 0.566 . . . . 0.0 112.156 -173.44 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -116.15 130.77 56.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.297 172.708 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.72 151.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 110.772 -178.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.551 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.2 t80 -96.0 110.6 22.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.248 179.442 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.8 178.89 6.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.331 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' HE3' HD13 ' A' ' 26' ' ' LEU . 99.7 mttt -60.37 -37.95 82.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -178.19 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD2' ' HE1' ' A' ' 57' ' ' HIS . 6.0 p-10 -82.76 -37.4 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.708 -178.912 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.07 -174.27 44.79 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 119.599 -1.286 . . . . 0.0 113.815 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.23 139.58 42.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.419 -0.391 . . . . 0.0 111.006 -177.027 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' HE1' ' OD2' ' A' ' 54' ' ' ASP . 26.6 m80 -146.28 148.15 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.078 0.466 . . . . 0.0 111.534 -179.385 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HE2' HG22 ' A' ' 98' ' ' THR . 41.9 mtp -83.58 130.44 34.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.021 179.087 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.02 122.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' C ' ' H ' ' A' ' 62' ' ' GLN . 61.1 m -81.12 137.24 35.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.343 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 p -76.4 41.1 0.24 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.396 0.617 . . . . 0.0 111.064 -178.863 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.492 HE21 HD13 ' A' ' 106' ' ' ILE . 10.0 pt20 -141.92 36.8 1.59 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.728 0.775 . . . . 0.0 109.226 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.6 m -102.59 160.71 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.607 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.407 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 4.6 m-90 60.7 20.79 10.79 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.032 0.533 . . . . 0.0 111.615 177.66 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 15.26 81.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.273 -178.254 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.698 ' HG3' HD13 ' A' ' 111' ' ' LEU . 16.0 mmt180 -96.19 133.05 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 p -79.54 160.32 26.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 m -77.78 67.83 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.148 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -139.44 135.43 33.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.265 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 53.0 tt0 -72.67 116.03 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 -176.773 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -88.62 178.42 6.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -86.8 31.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.242 -177.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.476 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t70 -155.29 87.61 3.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 -176.589 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -101.85 1.3 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.058 2.505 . . . . 0.0 112.208 171.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -81.29 -9.55 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.396 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 85.4 mm-40 -69.0 -24.55 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.651 177.844 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.73 16.91 16.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.099 -177.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 8.3 p -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.306 179.08 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -63.24 -34.01 76.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.8 -47.36 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.083 178.44 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.96 -33.0 72.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.66 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 78' ' ' SER . 79.1 mm-40 -63.03 -48.15 79.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.015 179.009 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -20.75 63.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.689 179.676 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.86 1.9 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 176.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 t30 63.13 47.96 3.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.637 179.06 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.6 m -129.61 178.18 6.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.59 -145.25 12.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.936 -178.653 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.74 150.83 96.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.748 0.309 . . . . 0.0 111.048 -177.51 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.95 111.21 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.747 2.298 . . . . 0.0 111.889 177.332 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.94 -51.14 11.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.891 -177.618 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.4 m -135.58 149.06 49.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -176.394 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD2' HD13 ' A' ' 128' ' ' LEU . 6.2 tt -147.37 116.94 7.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -177.793 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.31 34.92 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.611 -178.673 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 109.42 2.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.604 2.203 . . . . 0.0 112.163 -179.396 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 86.7 t80 -96.91 -26.64 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.612 -174.565 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.74 140.34 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.74 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -94.2 58.79 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.59 0.71 . . . . 0.0 110.742 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.406 HG22 ' HE2' ' A' ' 58' ' ' MET . 7.5 m -67.67 100.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.288 -177.851 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 124' ' ' MET . 55.3 m-85 -86.51 49.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 0.0 110.232 177.094 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -132.88 112.13 13.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.732 -177.622 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.582 ' HG3' ' HA ' ' A' ' 123' ' ' ASP . 17.2 Cg_endo -91.25 104.41 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.268 2.645 . . . . 0.0 112.392 178.816 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -149.12 -68.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.428 . . . . 0.0 110.405 177.716 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 m -112.2 25.29 11.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.309 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -95.36 142.42 27.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.279 -178.545 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.73 154.39 38.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 112.381 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.492 HD13 HE21 ' A' ' 62' ' ' GLN . 47.6 mt -118.83 125.15 74.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.079 170.765 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.0 m -93.6 140.99 28.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -117.85 139.72 50.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.141 -179.402 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.51 -150.72 16.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.048 -177.743 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -82.74 136.43 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -178.121 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.698 HD13 ' HG3' ' A' ' 66' ' ' ARG . 10.0 tt -54.49 124.19 15.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.657 -179.907 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.37 -20.47 18.61 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.679 -177.923 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.1 t -99.41 114.45 27.37 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.322 0.582 . . . . 0.0 111.145 -179.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -99.96 22.88 10.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.359 175.906 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 26' ' ' LEU . 1.5 t -70.22 -24.67 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.884 -175.219 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -140.26 94.84 2.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 14.7 m -125.92 144.97 50.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.824 177.803 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -125.78 157.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.868 -176.113 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 127.41 32.07 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.084 179.095 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.4 p -77.73 82.26 4.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.009 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -77.72 80.74 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.366 0.603 . . . . 0.0 110.719 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.567 HD21 ' HG2' ' A' ' 124' ' ' MET . 6.1 t30 -161.82 155.67 21.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.284 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.582 ' HA ' ' HG3' ' A' ' 101' ' ' PRO . 9.6 p-10 -77.28 32.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -172.618 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.616 ' HA ' ' HA ' ' A' ' 99' ' ' TYR . 13.3 ptp -163.06 146.95 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.967 179.013 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.3 t -146.97 109.13 4.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.705 170.514 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -63.21 102.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 170.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 m -75.59 126.78 31.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.902 0.382 . . . . 0.0 111.198 -171.92 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.496 HD13 ' CD2' ' A' ' 92' ' ' LEU . 54.3 tp -75.62 133.92 40.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.884 178.947 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.424 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -137.98 158.25 24.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.582 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 131' ' ' THR . 3.4 tt -137.89 147.19 44.21 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.857 0.36 . . . . 0.0 110.064 -176.106 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.551 ' N ' HD22 ' A' ' 130' ' ' LEU . 37.7 m -119.4 102.0 8.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.902 177.045 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.488 ' SG ' HD21 ' A' ' 130' ' ' LEU . 19.4 m -88.94 146.31 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.073 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.51 124.44 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 178.481 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.976 -178.394 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 29' ' ' TYR . 37.6 m -147.64 153.71 39.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.818 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.433 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -79.41 26.0 0.3 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 111.832 -176.286 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.782 ' HA ' ' HD2' ' A' ' 79' ' ' LYS . 67.2 m-85 -117.66 -0.05 11.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.839 173.293 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.58 137.67 21.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.06 -13.13 37.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.052 2.501 . . . . 0.0 112.91 -177.046 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -96.11 2.06 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.99 178.667 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -86.13 111.51 20.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 16.5 mm-40 -98.35 142.07 30.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.01 179.114 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -156.32 148.76 23.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.409 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -147.6 147.48 30.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.172 0.51 . . . . 0.0 111.334 -178.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 130' ' ' LEU . 67.8 mt -93.75 111.14 22.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.138 175.371 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -118.97 -173.46 2.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.58 -174.433 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 63.33 20.54 12.32 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.004 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.1 p -156.39 160.53 39.73 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.196 -178.396 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -100.86 -7.15 23.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.991 0.901 . . . . 0.0 108.897 178.176 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.542 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 8.6 m -79.46 111.7 15.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.112 175.623 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -75.22 -14.43 60.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 -170.33 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 62.2 m -119.19 17.02 13.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.88 0.371 . . . . 0.0 110.72 178.434 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 42' ' ' SER . 33.8 tt0 -159.24 114.31 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.692 -178.243 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.36 24.24 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.967 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -92.0 136.25 33.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 110.328 -179.101 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.7 tp -87.25 114.92 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.171 0.51 . . . . 0.0 111.75 -172.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 55.8 mt-10 -110.18 128.19 55.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.944 169.786 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.76 152.55 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.791 -177.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.505 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 88.6 t80 -99.03 117.37 33.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -107.96 179.33 4.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 171.004 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -57.76 -31.6 66.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.17 0.441 . . . . 0.0 111.804 -174.573 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.96 -20.89 34.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.534 -176.049 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.35 -151.11 23.19 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.524 -177.407 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.466 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.7 m95 -96.45 143.28 27.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 111.108 -175.709 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -145.91 143.86 29.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 75.1 mtp -83.19 140.11 32.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.054 178.87 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -103.42 135.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.958 -178.439 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -87.58 142.61 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.456 174.174 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.9 p -72.95 -2.54 21.36 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.867 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 -0.14 41.84 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.541 178.26 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -69.53 161.26 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.925 -176.083 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.97 29.36 18.97 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.689 175.598 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.32 36.68 79.11 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.964 175.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 60.7 mtt180 -87.0 102.74 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.873 0.368 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -88.15 2.02 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -114.34 174.92 5.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.423 -176.871 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -70.49 -49.97 42.87 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.759 177.052 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.474 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 3.8 t90 -92.31 145.64 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 174.103 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.06 57.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -170.52 100.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.13 171.411 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 62.0 Cg_endo -94.09 -2.32 2.93 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.174 2.583 . . . . 0.0 111.592 170.571 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.52 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 0.9 OUTLIER -63.51 -25.92 68.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.875 -167.985 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.21 -12.94 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -174.973 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.22 34.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.04 0.448 . . . . 0.0 111.243 -177.976 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -52.4 -56.19 16.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.212 -177.476 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.782 ' HD2' ' HA ' ' A' ' 29' ' ' TYR . 96.8 mttt -72.22 -10.71 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.051 -171.883 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 84.8 t -74.5 -56.31 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.017 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.8 -36.73 85.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.753 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 6.0 tp60 -63.19 -44.51 95.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.981 179.116 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.68 -5.45 53.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.762 -179.38 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 95.9 mt -97.48 2.09 49.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.727 0.298 . . . . 0.0 110.287 171.171 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.8 m120 64.09 39.57 7.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.145 -179.516 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 76.0 m -118.06 -178.98 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.939 177.357 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.77 178.99 52.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.597 175.36 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 133' ' ' LEU . 3.1 p-10 -61.85 149.07 86.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 0.0 111.822 -176.0 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.52 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 18.7 Cg_endo -58.55 121.85 10.66 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.441 2.761 . . . . 0.0 113.092 -175.83 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -41.96 6.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.886 -174.347 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.484 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 9.0 m -140.89 158.88 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.727 -176.622 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 130' ' ' LEU . 21.3 tp -153.27 174.13 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.5 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 121.86 -150.16 17.07 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.696 174.344 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -85.16 103.45 0.81 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.862 2.375 . . . . 0.0 112.048 179.27 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 1.047 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.4 t80 -83.68 -49.04 9.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.559 -174.015 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.549 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 73.8 mt -139.34 153.67 47.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 111.21 -176.69 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -98.06 66.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.044 178.73 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.3 m -57.69 -36.83 72.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.664 178.754 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 55.5 54.14 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.129 0.49 . . . . 0.0 110.619 173.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.1 m -144.9 87.32 7.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.525 -177.622 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 57.83 6.68 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 123.116 2.544 . . . . 0.0 112.1 -179.16 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -116.46 -26.95 6.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.797 -178.834 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 m -139.58 21.99 2.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.429 -178.138 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 p -101.77 143.58 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.143 -176.584 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.5 pt -124.07 156.06 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.055 0.455 . . . . 0.0 110.64 178.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tt -126.2 133.08 69.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.691 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -106.64 150.36 26.29 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.807 0.337 . . . . 0.0 111.438 -174.394 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -124.43 164.4 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.782 178.061 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.55 -125.8 8.49 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.917 175.252 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.9 134.22 41.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.659 0.266 . . . . 0.0 110.975 -175.185 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.19 113.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.896 179.721 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 114.63 -15.17 19.8 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.148 -179.253 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -97.52 130.58 44.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.067 0.461 . . . . 0.0 110.402 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.28 23.5 12.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.228 177.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.2 m -83.58 -14.65 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.714 -177.779 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.409 HD21 ' HA ' ' A' ' 116' ' ' ASN . 6.9 m120 -132.49 79.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 110.402 178.697 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.9 m -124.27 158.64 32.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.041 179.654 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.2 t -134.67 146.34 49.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -63.19 116.65 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.973 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 t -78.59 111.65 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -173.977 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -105.36 49.1 0.82 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.0 109.446 179.145 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -134.16 134.1 41.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.082 -178.547 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.31 -17.4 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 178.518 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 51.4 mtm -82.26 50.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.991 177.567 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 118.71 27.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.363 -177.459 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -100.18 129.94 46.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.649 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m -72.69 135.13 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.594 -174.331 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -73.28 126.49 30.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.683 -179.146 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 1.047 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.42 146.53 18.85 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.099 177.153 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 92' ' ' LEU . 61.2 tp -127.3 131.11 50.54 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 -178.34 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 38.4 m -113.55 108.91 17.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.753 174.377 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 43.2 m -86.67 157.54 19.65 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 176.181 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 2.9 tt -60.78 93.99 0.03 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 110.836 -176.511 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.602 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 20.2 mmt180 . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 120.765 0.316 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.9 130.42 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -140.06 154.36 47.05 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.605 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -70.73 1.78 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.704 0.288 . . . . 0.0 111.698 -178.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.57 -18.37 19.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.2 m-20 -66.98 140.89 96.32 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 21.2 Cg_exo -65.93 -22.25 56.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 111.811 176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.67 -17.09 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.633 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.2 t80 -72.77 128.9 36.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.382 0.61 . . . . 0.0 110.457 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -114.91 133.65 55.81 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.139 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.545 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -150.68 157.77 43.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.386 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -147.35 152.43 38.19 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.827 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.721 ' H ' HD22 ' A' ' 84' ' ' LEU . 83.9 mt -90.94 126.73 36.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 169.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -57.08 152.28 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.545 0.528 . . . . 0.0 111.425 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -43.75 -59.24 2.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.772 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t 48.85 -93.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.949 0.78 . . . . 0.0 112.729 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -138.47 -40.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.014 0.435 . . . . 0.0 110.075 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 48.2 t -136.08 142.27 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -4.73 41.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 111.146 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -112.87 17.6 18.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 51.4 tt0 -158.94 94.6 1.23 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.301 0.572 . . . . 0.0 110.432 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.63 -165.6 24.28 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.549 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -79.01 144.49 34.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -78.17 113.17 15.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.182 0.515 . . . . 0.0 110.53 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.86 120.58 42.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.43 154.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 111.761 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -93.49 117.1 29.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.726 HD13 HD12 ' A' ' 105' ' ' ILE . 75.8 mt -105.47 -177.66 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.65 -45.33 81.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.93 -47.16 81.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.756 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.18 -158.27 28.27 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.039 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.545 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.8 m95 -73.84 128.79 36.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.361 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -139.77 142.22 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.231 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.453 ' O ' ' HA ' ' A' ' 104' ' ' SER . 72.7 mtp -80.17 150.68 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.01 132.95 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.889 0.376 . . . . 0.0 110.354 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 62' ' ' GLN . 15.8 t -90.85 136.62 32.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 p -79.95 41.85 0.53 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.636 0.731 . . . . 0.0 111.621 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 60' ' ' CYS . 25.4 tp60 -130.92 25.86 4.96 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -99.71 157.02 16.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.885 -169.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 59.51 23.23 11.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.978 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.41 26.2 74.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.599 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -102.59 146.38 28.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -90.86 159.01 16.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -77.97 55.0 1.37 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.315 0.579 . . . . 0.0 111.882 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.21 147.44 43.78 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.58 115.6 5.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.967 0.413 . . . . 0.0 111.645 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.465 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 11.3 p90 -83.31 171.14 13.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.462 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.31 -9.48 57.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -165.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.633 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.8 t70 -122.66 106.45 34.76 Favored Pre-proline 0 C--N 1.327 -0.381 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.714 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -96.51 -8.98 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 0.0 112.659 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -69.99 -20.75 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.992 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.633 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 77.9 mm-40 -63.19 -13.16 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.72 13.88 27.5 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.2 m -58.54 -41.57 85.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.998 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -62.47 -31.54 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.58 -47.11 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 78.8 m -57.86 -37.67 74.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 109.948 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.55 -37.73 87.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.169 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -64.92 -26.73 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.721 HD22 ' H ' ' A' ' 37' ' ' LEU . 9.2 mp -100.82 7.71 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.29 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.1 t30 58.98 44.44 16.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.7 m -109.92 -176.8 3.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.428 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.23 -158.09 33.89 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.58 149.96 94.59 Favored Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 122.716 0.406 . . . . 0.0 110.811 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.43 118.4 4.89 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.936 2.424 . . . . 0.0 112.426 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.538 HD13 HD21 ' A' ' 133' ' ' LEU . 85.9 mt -79.78 -40.36 28.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.01 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -153.82 152.68 30.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.687 ' HG ' HD12 ' A' ' 130' ' ' LEU . 1.7 tt -147.22 114.1 6.12 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.98 -159.77 27.41 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.145 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.67 112.89 3.19 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.516 2.144 . . . . 0.0 112.002 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.594 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 50.2 t80 -113.1 92.59 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.016 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt 69.13 -178.23 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.769 0.668 . . . . 0.0 111.105 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 37.7 ttmt -130.31 92.08 3.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.221 -177.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -79.65 -48.0 14.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.96 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 63.52 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.574 0.702 . . . . 0.0 112.714 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.6 m -150.15 82.13 6.55 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.182 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.34 68.71 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.95 3.1 . . . . 0.0 113.113 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 178.63 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -81.34 -35.55 30.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.766 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.5 p -82.42 132.97 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.091 0.472 . . . . 0.0 110.677 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.726 HD12 HD13 ' A' ' 52' ' ' LEU . 31.8 pt -119.94 163.19 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.647 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.5 mt -131.2 123.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.354 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.62 146.74 26.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.09 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -121.19 138.71 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.08 -119.54 2.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.666 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 132.86 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 tp -51.15 114.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.26 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.11 -20.11 10.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.188 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.9 t -89.01 128.5 35.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -113.95 32.05 6.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.287 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -74.18 84.32 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.36 79.23 0.26 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.155 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 58.9 m -87.69 164.36 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.427 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.2 m -104.89 159.57 15.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.753 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -74.21 148.64 41.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 p -75.21 72.31 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 111.495 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -87.83 60.45 5.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -137.97 163.68 30.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.202 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.45 20.24 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.6 ptp -155.07 68.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.271 0.558 . . . . 0.0 111.285 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 52.8 t -100.95 132.42 46.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.995 0.426 . . . . 0.0 109.892 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -121.33 151.52 40.01 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -78.98 136.53 37.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.769 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.14 127.44 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.594 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.17 145.69 16.68 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.639 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.687 HD12 ' HG ' ' A' ' 92' ' ' LEU . 61.6 tp -125.69 126.94 45.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.0 m -109.92 108.72 19.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.263 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.4 m -107.0 147.6 29.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.538 HD21 HD13 ' A' ' 90' ' ' LEU . 54.8 mt -61.71 155.22 23.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.48 0.181 . . . . 0.0 110.667 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.06 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 115' ' ' SER . 6.5 mp -125.6 74.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.9 m -97.0 154.23 17.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -74.08 24.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.115 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' SER . 27.8 m-85 -132.57 17.21 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.341 171.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -99.73 143.24 26.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.25 -16.87 35.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.985 2.457 . . . . 0.0 112.57 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.57 -8.81 49.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.1 118.36 21.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.8 mm100 -104.44 137.84 41.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.183 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 159.45 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.82 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -153.02 155.66 37.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.16 126.33 51.96 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 77.2 p -62.7 153.69 31.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -80.24 50.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -74.35 -45.32 47.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.281 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 11.8 m120 -122.76 -62.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.963 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.441 ' HG ' ' CD ' ' A' ' 134' ' ' GLU . 15.7 t -152.99 -175.31 5.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.561 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.76 -33.42 73.87 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.372 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 82.4 m -97.56 18.85 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 3.3 pt20 -161.42 114.53 1.9 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 111.967 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.52 -161.3 31.07 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.418 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' HG2' ' HE1' ' A' ' 58' ' ' MET . 6.0 mp0 -74.98 142.48 43.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 117.067 0.434 . . . . 0.0 109.927 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.66 106.05 16.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.159 0.504 . . . . 0.0 109.772 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -109.34 123.36 49.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.27 155.21 21.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 111.521 -172.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.4 t80 -92.51 107.39 19.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.133 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.767 HD11 HD12 ' A' ' 105' ' ' ILE . 70.3 mt -84.84 175.98 8.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.72 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.64 -38.43 69.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 109.691 177.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.34 -16.11 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.592 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.15 -179.6 21.34 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.686 -1.245 . . . . 0.0 113.819 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -71.23 130.03 40.39 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.955 0.502 . . . . 0.0 111.629 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -146.18 157.72 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.425 ' HE1' ' HG2' ' A' ' 47' ' ' GLN . 73.3 mtp -91.18 137.59 32.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 -177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.28 140.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 0.0 111.064 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 t -99.24 140.99 32.59 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.7 ' HA ' HD13 ' A' ' 128' ' ' LEU . 79.6 p -67.46 -24.82 65.66 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.76 24.87 2.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.172 0.511 . . . . 0.0 110.846 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.3 t -79.83 161.47 25.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.948 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 56.96 30.42 18.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.865 0.466 . . . . 0.0 111.598 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.62 16.16 69.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.094 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -74.4 159.42 32.36 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 p -72.21 154.04 41.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.098 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 51.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.131 0.491 . . . . 0.0 111.09 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.621 ' HG2' ' H ' ' A' ' 70' ' ' GLN . 42.2 tttp -149.08 -169.28 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 10.3 tt0 -94.78 130.25 41.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -177.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -90.67 161.11 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.915 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.31 41.21 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.73 0.3 . . . . 0.0 111.688 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -155.62 80.23 4.15 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 0.0 110.195 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.496 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 93.6 Cg_endo -81.04 -10.18 12.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.556 2.17 . . . . 0.0 112.014 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.62 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 7.5 m -64.33 -11.86 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.042 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 34.4 mm-40 -59.02 -25.48 63.72 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.061 175.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.8 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.586 -176.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -54.37 -48.45 71.47 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.35 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 23.1 tptm -61.68 -38.19 86.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.231 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' O ' HD12 ' A' ' 84' ' ' LEU . 97.7 t -63.51 -53.92 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.27 -45.9 91.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.11 -42.66 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.769 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 2.0 mmp_? -74.16 -18.15 60.82 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.936 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 80' ' ' VAL . 9.7 mp -88.27 11.72 15.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.412 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 65.31 37.09 6.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.955 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.2 m -116.77 163.66 15.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.119 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -151.54 25.87 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.235 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.9 m-20 -56.79 148.22 48.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.887 0.375 . . . . 0.0 111.645 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.62 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 5.7 Cg_exo -76.24 124.47 7.85 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.946 2.431 . . . . 0.0 111.336 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 133' ' ' LEU . 95.8 mt -88.64 -52.09 5.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -176.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.41 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 6.4 p -140.46 146.99 38.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.36 113.54 5.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.38 -144.85 8.92 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.841 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.65 103.84 1.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.243 1.962 . . . . 0.0 111.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.996 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 66.3 t80 -84.62 -49.82 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.383 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.9 tp -154.17 151.15 28.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -96.91 82.04 3.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.6 m -73.65 -32.16 63.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.453 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 70.67 -25.91 0.16 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.6 m -50.72 107.19 0.76 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 111.961 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.23 -33.26 24.87 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.407 2.738 . . . . 0.0 112.533 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.485 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 8.7 tp-100 -64.82 -32.66 74.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.053 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.7 m -88.27 -32.75 18.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.692 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.9 p -92.06 156.56 17.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.408 0.623 . . . . 0.0 112.147 -171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.767 HD12 HD11 ' A' ' 52' ' ' LEU . 24.8 pt -135.35 151.95 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.209 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 mt -119.97 116.36 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 158.77 15.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -131.56 155.33 47.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.83 -125.18 6.55 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.225 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -101.88 141.19 35.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.673 0.273 . . . . 0.0 110.879 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.44 101.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.66 -12.58 5.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.397 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.5 t -100.23 119.71 38.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -110.8 31.13 6.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.522 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 26' ' ' LEU . 45.6 m -62.01 -40.09 94.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.944 -172.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -154.93 95.92 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 110.39 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 27.4 m -98.71 151.46 20.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.211 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 m -93.23 135.5 34.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.817 0.342 . . . . 0.0 111.011 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.485 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 10.0 t60 -57.53 125.6 23.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 174.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.5 t -69.94 92.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 0.0 110.94 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -89.88 53.23 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.34 150.89 24.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.36 22.39 10.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 81.0 mtp -109.28 17.25 21.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.238 0.542 . . . . 0.0 109.867 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.5 t -84.2 134.8 34.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.387 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -107.69 119.36 39.22 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -66.16 130.39 43.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 -174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 61' ' ' SER . 9.1 tt -80.32 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.262 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.996 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -123.99 151.16 17.07 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.954 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 60.8 tp -124.38 128.24 48.78 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.41 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 74.7 m -116.1 110.07 18.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.6 m -107.83 154.22 21.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 90' ' ' LEU . 30.1 mt -57.79 127.87 34.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.79 0.328 . . . . 0.0 110.524 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 32.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.423 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.728 0.299 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -131.28 86.26 2.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.035 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 29' ' ' TYR . 9.6 t -118.83 145.94 45.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 17.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.042 0.449 . . . . 0.0 111.887 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.582 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -121.31 6.17 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 177.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -95.76 142.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.178 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.93 -12.12 33.59 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.986 2.457 . . . . 0.0 112.766 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.89 1.73 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.339 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.1 117.51 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.2 mp0 -95.61 131.97 41.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.494 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.9 154.27 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' NH1' ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.96 156.47 42.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.7 mt -99.82 132.83 44.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.495 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 41.1 p -52.04 144.05 12.78 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.678 0.611 . . . . 0.0 111.531 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -75.25 54.18 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.424 0.631 . . . . 0.0 109.33 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -90.6 -66.92 0.88 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.065 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.39 -59.37 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.15 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 1.011 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 37.0 t -123.17 146.07 48.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 109.95 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 43' ' ' LYS . 19.9 ptmt -61.26 -22.8 65.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.756 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 69.3 m -118.64 25.58 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.425 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 1.011 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 28.4 tt0 -159.51 109.78 1.93 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.128 0.49 . . . . 0.0 111.253 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.54 -169.81 38.37 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.06 138.6 47.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 tp -80.0 116.67 20.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.977 0.418 . . . . 0.0 110.888 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.13 127.11 52.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.613 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.67 150.84 15.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -90.01 106.22 18.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.053 0.454 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.25 172.64 8.08 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -54.79 -32.17 59.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.904 0.383 . . . . 0.0 111.351 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.82 34.57 3.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.79 175.79 20.47 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.123 -1.036 . . . . 0.0 114.238 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.468 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 93.1 m95 -75.65 136.37 40.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.664 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -143.73 142.24 30.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.184 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.8 mtp -71.72 138.77 48.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.145 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.8 t -93.73 131.27 41.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.679 0.276 . . . . 0.0 110.327 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 98.3 m -81.24 141.25 34.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.102 173.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' HA ' HD11 ' A' ' 128' ' ' LEU . 3.1 p -77.0 -3.49 39.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -86.88 7.15 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 m -69.66 150.78 46.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.278 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 60.61 22.41 12.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.497 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.4 47.69 61.82 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.574 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 66' ' ' ARG . 5.4 mmp_? -103.9 131.14 51.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 110.819 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 m -83.0 175.38 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.686 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.584 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 5.0 p -80.24 55.67 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -133.23 148.59 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.063 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.42 101.03 9.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' HE1' HD23 ' A' ' 92' ' ' LEU . 39.8 p90 -75.58 146.95 40.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.973 0.416 . . . . 0.0 110.774 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.08 17.61 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -168.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -128.83 80.5 72.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.563 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.4 Cg_endo -85.82 -5.77 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.112 2.542 . . . . 0.0 110.499 169.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -18.27 65.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.459 -174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -74.27 -5.42 41.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.128 -0.357 . . . . 0.0 110.808 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.93 7.01 19.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.48 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m -56.36 -38.29 71.2 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.759 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 62.5 tttp -65.14 -35.71 81.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.898 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.41 -50.19 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -59.87 -39.34 84.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.398 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -63.06 -46.1 89.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.366 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 13.6 mmm180 -76.05 -15.16 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.451 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.77 6.29 42.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.479 . . . . 0.0 110.024 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 61.5 38.51 15.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.995 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.8 m -111.28 174.25 5.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.82 -128.03 2.38 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.067 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.03 151.91 73.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.646 0.378 . . . . 0.0 111.299 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 58.1 Cg_endo -80.1 102.31 1.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.666 2.244 . . . . 0.0 111.129 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -35.59 62.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.229 -174.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 m -152.76 151.54 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.903 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.832 HD13 HD11 ' A' ' 130' ' ' LEU . 51.3 tp -155.28 131.79 10.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.855 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.459 ' HA2' ' CH2' ' A' ' 71' ' ' TRP . . . 157.12 -156.05 26.9 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 17.3 Cg_exo -67.38 124.62 12.29 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.624 2.216 . . . . 0.0 111.981 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' O ' ' HB2' ' A' ' 127' ' ' SER . 50.3 t80 -138.11 120.45 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.172 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.1 mt 69.64 120.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.911 0.862 . . . . 0.0 112.143 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -87.76 57.87 4.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.823 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.69 -34.52 74.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 70.14 -12.63 0.48 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.75 0.82 . . . . 0.0 113.072 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -51.75 101.79 0.28 Allowed Pre-proline 0 N--CA 1.467 0.399 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -93.51 21.94 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.224 2.616 . . . . 0.0 112.625 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 102' ' ' GLN . 2.0 mp0 -104.54 -10.43 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.39 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -126.26 -17.59 5.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.728 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.504 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 79.6 p -92.98 146.28 23.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.371 0.605 . . . . 0.0 112.218 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.1 pt -123.27 144.53 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.463 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.11 124.94 70.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -110.2 151.81 26.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.043 0.449 . . . . 0.0 110.858 -173.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -123.08 168.19 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.925 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.55 -125.54 6.54 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.85 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -125.56 149.23 48.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.58 112.03 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.787 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.72 -12.36 27.55 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.684 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -108.63 122.91 48.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.51 43.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.217 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.1 m -67.8 -53.58 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.952 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.29 80.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 111.032 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 30.7 m -103.66 127.17 51.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.034 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -111.4 147.6 34.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -68.83 123.25 20.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -66.55 121.55 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.758 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -117.16 36.37 4.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -126.34 139.79 53.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.41 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -87.88 22.17 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.688 0.28 . . . . 0.0 111.448 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.1 mtp -132.39 29.12 4.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.598 0.237 . . . . 0.0 111.209 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 110.5 17.8 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.01 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.58 132.68 34.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.776 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.557 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 11.1 m -69.16 151.58 46.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 92' ' ' LEU . 8.7 tt -96.31 120.56 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -109.18 139.24 15.19 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.334 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 92' ' ' LEU . 62.6 tp -123.3 121.56 36.14 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.1 m -103.81 104.92 14.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.249 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 16.2 m -99.17 138.25 36.53 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.97 116.94 10.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.262 -178.345 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.685 0.279 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.66 141.63 28.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -127.52 148.22 50.33 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.04 7.61 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.448 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.577 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 54.7 m-85 -96.48 -10.4 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.78 136.85 96.94 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.495 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.86 -18.14 46.97 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.14 2.56 . . . . 0.0 113.185 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -113.54 20.9 15.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -79.26 96.81 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 54.2 mt-30 -76.26 120.73 21.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.755 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.95 154.94 47.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.929 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -145.54 153.5 41.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' H ' HD23 ' A' ' 84' ' ' LEU . 94.7 mt -108.03 134.01 51.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 p -65.07 164.4 13.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.424 0.63 . . . . 0.0 112.626 -173.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -77.59 47.47 0.6 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.345 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -77.51 -64.75 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -117.29 -64.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.557 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 41.8 m -147.33 174.81 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -77.08 7.03 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.999 0.428 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.5 -7.41 15.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -155.78 119.27 4.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 111.429 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.66 -159.87 29.81 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.343 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 93.9 mt-30 -74.61 131.4 40.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.988 0.394 . . . . 0.0 110.025 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 HD23 HD21 ' A' ' 128' ' ' LEU . 59.0 tp -82.81 105.89 14.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.89 128.39 54.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.93 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.23 146.28 14.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.314 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 46.5 t80 -95.89 91.12 5.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.065 0.46 . . . . 0.0 110.247 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -90.96 -172.79 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -66.89 -26.99 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.104 0.478 . . . . 0.0 110.025 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.686 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.24 -170.14 19.32 Favored Glycine 0 C--O 1.237 0.283 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.149 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.15 132.38 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -143.37 137.9 29.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.222 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.3 mtp -76.03 124.86 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.178 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.17 126.92 39.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.26 134.4 34.13 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.547 ' HA ' HD12 ' A' ' 128' ' ' LEU . 18.4 m -48.74 -54.94 12.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -81.07 56.7 2.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.736 0.779 . . . . 0.0 111.674 -174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -102.2 159.31 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.123 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 60.84 -84.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.531 0.732 . . . . 0.0 111.689 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.57 31.25 0.93 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.314 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 32.7 mmt-85 -98.93 134.85 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.125 0.488 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -112.88 -177.21 3.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.381 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -82.81 58.99 4.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 151.34 10.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -71.71 126.11 28.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.45 ' HD1' ' H ' ' A' ' 73' ' ' ASP . 26.3 t-105 -85.28 158.45 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 35.9 mt-10 -60.15 -37.75 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' H ' ' HD1' ' A' ' 71' ' ' TRP . 15.3 t70 -113.88 97.86 45.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 111.674 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 72' ' ' GLU . 55.3 Cg_endo -100.94 9.05 0.57 Allowed 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.759 2.973 . . . . 0.0 112.14 172.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 5.6 m -76.75 -3.84 40.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.898 -173.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -69.19 -16.2 63.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.438 . . . . 0.0 110.844 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.22 15.88 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -58.55 -40.68 83.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.567 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 22.1 tptm -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.738 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.94 -46.33 85.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.35 . . . . 0.0 110.131 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.2 m -57.54 -38.3 74.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.231 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -68.23 -36.54 79.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.9 mmm180 -61.47 -30.09 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.707 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 37' ' ' LEU . 8.0 mp -102.04 9.49 40.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.826 0.346 . . . . 0.0 111.32 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 57.4 45.36 20.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.018 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -112.48 -178.43 3.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.018 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.29 -164.86 36.94 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.608 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.24 149.82 90.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.535 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 60.2 Cg_endo -78.7 120.61 4.79 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.699 2.266 . . . . 0.0 112.437 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.28 -52.66 6.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 p -139.94 154.81 47.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.754 HD13 HD11 ' A' ' 130' ' ' LEU . 51.8 tp -144.32 94.58 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.12 -158.66 9.48 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.791 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.67 79.48 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 123.292 2.661 . . . . 0.0 111.8 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.597 ' HB3' HD13 ' A' ' 96' ' ' LEU . 21.5 t80 -77.37 -49.8 14.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.841 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.8 mp -106.44 144.27 33.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.26 0.552 . . . . 0.0 110.949 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.5 mttm -118.58 67.11 0.77 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.893 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -91.77 -28.88 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.995 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 91.4 m-85 61.58 20.09 10.96 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.1 m -72.39 108.6 4.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.21 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 95.5 Cg_endo -92.29 58.53 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.207 2.605 . . . . 0.0 111.997 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.94 -53.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.111 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -90.97 -0.53 57.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.3 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 32.7 p -101.08 151.34 21.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.525 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.0 pt -133.35 152.28 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.033 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.19 125.24 73.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -110.09 146.51 35.28 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.997 -174.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -109.32 162.32 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.984 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.47 -106.3 0.98 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.145 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.48 153.33 41.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.39 108.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.69 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.66 -2.29 32.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.27 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.7 t -104.78 95.83 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.225 0.536 . . . . 0.0 110.404 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.27 62.23 5.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 t -99.01 -64.31 1.05 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.711 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -108.49 88.67 2.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.177 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.0 m -108.07 138.18 44.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.759 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 p -117.84 158.17 25.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.124 0.488 . . . . 0.0 111.025 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -66.17 127.19 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.036 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 t -70.14 110.85 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.608 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -94.27 4.06 54.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.502 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -106.77 133.93 50.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.05 0.452 . . . . 0.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.0 12.2 22.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.694 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -102.06 18.8 19.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 48.8 t -66.01 115.06 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.052 -176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -87.4 135.22 33.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.126 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.607 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 12.8 m -79.28 118.24 21.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 61' ' ' SER . 33.0 tp -64.32 120.56 12.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.506 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -114.77 124.25 6.31 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.51 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.754 HD11 HD13 ' A' ' 92' ' ' LEU . 55.9 tp -103.29 117.43 34.49 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.2 m -98.41 86.84 3.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.5 m -85.49 147.72 26.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -58.98 128.46 37.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.7 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD12 ' HE3' ' A' ' 53' ' ' LYS . 74.6 mt -87.55 90.79 8.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.314 0.578 . . . . 0.0 111.305 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.7 t -153.99 150.51 28.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.36 29.69 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 111.28 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' SER . 42.7 m-85 -122.93 3.37 9.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.918 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.2 m-20 -108.23 147.93 36.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.354 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 8.0 Cg_exo -73.2 -8.94 22.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.491 2.794 . . . . 0.0 113.165 -175.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -108.21 19.7 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.678 0.275 . . . . 0.0 110.978 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -96.1 118.06 31.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -109.18 134.64 51.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.61 162.83 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.47 166.84 30.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.75 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 43' ' ' LYS . 97.6 mt -107.32 147.73 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 172.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.4 p -76.92 163.18 26.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 110.773 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.51 78.25 9.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.489 0.661 . . . . 0.0 111.568 -170.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -83.15 -53.25 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.139 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -157.62 -59.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.122 0.487 . . . . 0.0 110.221 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -124.88 150.08 46.86 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.99 -5.68 36.67 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -170.249 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.99 -4.22 56.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.362 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -145.68 115.34 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.186 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.32 -163.06 29.13 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.286 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -91.56 139.04 31.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.85 122.48 24.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.22 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -123.53 126.45 46.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 155.37 23.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.147 0.499 . . . . 0.0 111.856 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -85.51 108.85 18.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.757 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.918 HD12 HD13 ' A' ' 105' ' ' ILE . 94.8 mt -87.14 -167.81 2.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HE3' HD12 ' A' ' 26' ' ' LEU . 1.6 tppp? -67.78 -21.02 65.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 110.591 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.462 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.67 18.38 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.875 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.64 125.24 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.725 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -138.85 145.57 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.68 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.07 139.54 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.265 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.49 130.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 0.0 110.279 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 t -89.94 136.8 32.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -72.28 -2.48 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.73 39.3 1.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.221 1.01 . . . . 0.0 109.144 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.2 m -107.28 150.13 27.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.343 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.5 26.65 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.669 0.606 . . . . 0.0 111.719 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.17 66.11 2.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.361 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.467 HH21 HD21 ' A' ' 111' ' ' LEU . 45.1 mmt-85 -130.19 129.7 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 110.902 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -70.71 162.2 29.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.672 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -77.78 49.49 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.929 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -147.16 146.15 29.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.431 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.77 120.45 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.244 0.34 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ3' ' HB3' ' A' ' 66' ' ' ARG . 12.7 p90 -92.48 -176.24 4.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.194 0.521 . . . . 0.0 111.591 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -82.92 -29.53 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -160.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -125.78 95.33 40.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.664 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -94.38 -4.32 2.53 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.974 2.45 . . . . 0.0 112.718 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.803 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 19.1 m -72.56 -4.51 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -62.84 -19.16 63.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.233 0.54 . . . . 0.0 110.859 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.15 12.22 36.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.003 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 m -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.3 mtmp? -63.45 -35.03 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.34 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.22 -49.38 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.5 m -55.62 -42.87 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.409 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -60.78 -39.5 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.232 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 16.8 mmm180 -68.16 -19.49 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.273 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.52 9.69 42.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.624 0.25 . . . . 0.0 110.935 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 m120 63.22 41.06 8.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.349 0.595 . . . . 0.0 110.981 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -118.7 167.97 11.16 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.529 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.85 -152.04 27.92 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.939 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 5.5 m-20 -56.13 146.32 51.33 Favored Pre-proline 0 N--CA 1.465 0.296 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.803 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.9 Cg_exo -75.79 114.45 3.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.208 2.606 . . . . 0.0 111.7 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.9 mt -82.11 -37.66 25.98 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.669 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.3 m -151.14 147.7 27.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 130' ' ' LEU . 8.3 tt -151.32 110.85 3.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.48 -148.94 9.04 Favored Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.77 119.18 5.58 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.124 1.883 . . . . 0.0 111.907 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 41.2 t80 -145.09 119.5 9.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.77 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tt 57.91 90.98 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.011 0.819 . . . . 0.0 110.911 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.684 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 9.8 mtmp? -78.83 88.47 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -71.06 -13.81 62.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.008 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.487 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 69.8 t80 59.3 73.65 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.151 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 p -124.62 64.82 41.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.145 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.643 ' HB2' ' HD2' ' A' ' 121' ' ' ARG . 6.1 Cg_exo -74.25 2.64 5.96 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.942 2.428 . . . . 0.0 111.761 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -103.76 12.5 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.502 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.2 m -146.73 -22.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.2 p -87.07 149.58 24.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.076 0.465 . . . . 0.0 111.623 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.918 HD13 HD12 ' A' ' 52' ' ' LEU . 35.0 pt -130.28 146.31 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.867 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.06 117.14 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -96.33 152.83 18.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.983 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.42 161.2 20.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.87 -158.21 14.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.339 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -82.34 144.33 30.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.691 0.281 . . . . 0.0 110.518 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.467 HD21 HH21 ' A' ' 66' ' ' ARG . 61.4 tp -51.26 100.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.554 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.431 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 132.67 -26.05 3.69 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.359 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -84.6 109.02 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.185 0.517 . . . . 0.0 110.982 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -93.64 41.62 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.555 0.693 . . . . 0.0 109.337 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 p -79.85 -48.33 13.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.714 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -123.87 112.12 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 55.9 m -130.77 142.95 50.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.358 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 t -122.34 136.93 54.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -77.7 119.38 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.04 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.7 m -108.51 116.89 32.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 0.0 111.432 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' A' ' 101' ' ' PRO . 9.4 mmm180 -103.1 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -163.41 157.85 20.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -79.6 22.24 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.094 0.473 . . . . 0.0 111.974 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.2 mtt -91.95 -4.27 54.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.541 0.686 . . . . 0.0 109.441 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.0 t -88.82 136.23 33.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.736 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.684 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 55.5 m80 -118.13 131.46 56.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.5 m -64.09 129.51 40.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.676 0.274 . . . . 0.0 110.632 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.5 tt -83.74 113.15 20.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.557 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -98.45 126.0 8.74 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.778 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 92' ' ' LEU . 52.3 tp -108.42 118.59 37.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.0 m -108.33 96.23 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 34.9 m -92.53 152.32 19.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.55 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.7 tp -68.8 140.23 55.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.713 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD12 HD22 ' A' ' 52' ' ' LEU . 96.4 mt -130.24 71.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.137 177.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -113.09 151.19 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 10.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.948 -175.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -94.45 -18.09 21.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 109.947 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.51 131.83 89.73 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.43 -19.15 38.08 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.636 2.224 . . . . 0.0 112.514 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.06 -0.86 49.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.829 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -76.45 106.42 8.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 78.2 mt-30 -86.47 134.65 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.04 146.22 26.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.586 ' NH1' HH22 ' A' ' 39' ' ' ARG . 10.2 ptp180 -141.02 158.45 43.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.553 . . . . 0.0 111.054 -177.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.35 134.15 46.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 55.7 p -50.59 142.12 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.596 0.56 . . . . 0.0 111.63 -178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.586 HH22 ' NH1' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -69.63 63.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.884 176.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -86.93 -78.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.054 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -101.88 -52.15 3.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.0 110.295 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.7 t -151.1 172.0 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.646 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -65.07 -23.79 67.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 123.291 0.369 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 134' ' ' GLU . 73.3 m -93.31 -1.46 55.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -172.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.527 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -154.98 130.24 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.746 176.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.41 -161.09 33.43 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.45 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.421 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.4 tm0? -82.81 144.52 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.81 113.08 23.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 111.977 -173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -108.84 127.56 54.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.356 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.27 149.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 75.2 t80 -99.09 101.33 12.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.926 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.558 HD22 HD12 ' A' ' 26' ' ' LEU . 82.1 mt -100.28 -158.8 0.7 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.406 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -69.78 -32.48 70.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 111.244 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -83.59 -16.17 46.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.67 -141.46 13.61 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.264 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.448 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.4 m95 -82.52 128.69 34.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 111.154 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -136.57 133.41 36.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.43 178.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.427 ' HE2' ' HB ' ' A' ' 98' ' ' THR . 60.4 mtp -73.8 137.37 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.6 t -96.37 138.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.8 m -99.71 151.75 20.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.52 ' HA ' HD13 ' A' ' 128' ' ' LEU . 6.7 m -73.45 -6.29 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.746 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -87.56 22.51 2.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 109.351 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -102.64 151.64 22.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.763 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 55.4 32.56 19.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.164 0.585 . . . . 0.0 112.056 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.78 30.42 72.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.174 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -97.59 164.86 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.966 0.383 . . . . 0.0 109.968 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.5 m -147.34 -163.33 1.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -61.13 -34.37 74.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.441 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 51.7 tptt -123.41 86.57 2.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.064 0.459 . . . . 0.0 110.971 -178.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 69' ' ' LYS . 28.6 mt-30 -153.62 84.11 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.115 172.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -118.89 69.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.476 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.693 ' HG3' ' H ' ' A' ' 73' ' ' ASP . 7.9 pt-20 -105.64 -77.55 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.649 -0.42 . . . . 0.0 112.112 -175.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.693 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 13.2 t70 -117.93 98.17 51.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 122.31 -0.244 . . . . 0.0 110.978 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -98.54 -2.75 1.02 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.413 2.742 . . . . 0.0 112.834 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -66.64 -17.7 64.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.254 -171.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -62.87 -24.51 67.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.759 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 19.54 6.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.545 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.489 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.2 p -57.49 -35.51 70.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.69 -33.6 73.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.34 -54.26 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.18 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.4 m -62.21 -39.29 92.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.501 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -58.81 -48.73 80.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -71.69 -20.8 61.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.68 0.276 . . . . 0.0 111.437 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.91 4.91 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.26 48.36 6.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.623 0.725 . . . . 0.0 110.773 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 71.1 m -133.52 163.38 29.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.572 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 132' ' ' CYS . . . -73.86 177.12 45.23 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.298 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 146.52 75.02 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.417 0.627 . . . . 0.0 112.67 -172.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.763 ' HB3' HD22 ' A' ' 130' ' ' LEU . 29.6 Cg_endo -63.87 103.72 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 113.008 -175.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.453 HD12 ' HG ' ' A' ' 133' ' ' LEU . 88.6 mt -67.84 -40.99 83.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.908 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.5 m -146.43 150.0 34.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -150.93 115.31 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.66 -154.85 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.619 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.67 73.25 3.56 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.497 2.131 . . . . 0.0 112.391 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.579 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 42.9 t80 -71.38 -44.94 64.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.786 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.579 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 96.2 mt -132.02 178.38 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.67 87.93 1.96 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.281 0.562 . . . . 0.0 109.971 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.427 ' HB ' ' HE2' ' A' ' 58' ' ' MET . 20.6 m -86.34 111.97 20.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.18 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.25 69.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.4 m -130.62 76.23 77.7 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.034 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.39 60.55 7.08 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.365 2.71 . . . . 0.0 112.563 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -152.87 -35.31 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.1 m -109.14 24.31 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.0 m -118.56 152.48 35.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.322 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.417 HG21 ' CD2' ' A' ' 57' ' ' HIS . 34.6 pt -129.95 156.84 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.338 0.589 . . . . 0.0 111.806 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -123.98 125.96 71.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.9 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.47 154.52 31.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.731 0.3 . . . . 0.0 110.215 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -143.62 152.08 40.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.63 -113.58 1.37 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -111.18 131.69 54.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.739 0.304 . . . . 0.0 110.218 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.7 tp -52.02 110.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.968 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.88 -19.58 7.37 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.405 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -101.05 122.76 44.12 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.979 0.419 . . . . 0.0 110.346 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.4 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 90.4 m-85 -106.8 24.84 12.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.205 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.9 m -78.0 -13.93 59.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.577 -173.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -147.43 75.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.238 0.542 . . . . 0.0 110.047 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 15.3 m -115.39 154.44 29.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.559 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.5 m -111.17 159.45 17.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.72 136.57 33.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.941 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -108.49 118.48 36.88 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.618 0.723 . . . . 0.0 111.816 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 32.27 6.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.84 171.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -97.05 131.34 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.72 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.89 -23.3 65.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.204 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -94.8 29.06 2.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.458 . . . . 0.0 110.618 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 89.64 6.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -61.0 129.2 40.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 m -80.6 129.82 34.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.007 0.432 . . . . 0.0 111.233 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 61' ' ' SER . 17.9 tp -79.59 132.63 36.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.37 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -129.92 153.02 19.85 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.824 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 89' ' ' PRO . 3.2 tt -130.5 135.11 47.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.54 ' N ' HD21 ' A' ' 130' ' ' LEU . 25.6 m -112.5 98.86 7.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.844 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.574 ' SG ' HD23 ' A' ' 130' ' ' LEU . 10.2 m -94.1 153.73 17.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.453 ' HG ' HD12 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.36 133.38 46.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 177.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.448 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 2.9 mp0 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.827 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' C ' ' HG ' ' A' ' 27' ' ' SER . 94.3 mt -119.54 130.8 55.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.418 ' HG ' ' C ' ' A' ' 26' ' ' LEU . 51.9 m -159.99 146.84 16.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -78.36 12.12 2.09 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.219 -177.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.433 ' CE2' ' HA3' ' A' ' 112' ' ' GLY . 69.6 m-85 -100.05 -3.67 31.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.435 172.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 73.1 m-20 -97.2 127.13 39.51 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.799 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 33.1 Cg_exo -59.72 -22.12 66.17 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.401 2.734 . . . . 0.0 113.845 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.52 -0.08 57.25 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.475 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -71.94 131.44 42.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.723 0.297 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -112.17 132.41 54.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.444 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.94 163.74 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.339 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -144.15 162.7 35.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -118.85 135.89 54.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -56.38 146.26 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.372 0.42 . . . . 0.0 111.036 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -72.01 78.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -96.1 -152.6 0.38 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.747 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.34 -58.89 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.294 . . . . 0.0 111.344 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.887 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 17.3 m -89.02 143.05 27.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 134' ' ' GLU . 9.9 ptpp? -70.23 -15.85 62.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.29 -172.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 3.7 t -126.28 43.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 109.48 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.887 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 0.6 OUTLIER -147.93 130.94 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.717 178.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.55 -157.12 28.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.499 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.611 ' NE2' ' HE2' ' A' ' 58' ' ' MET . 17.5 mt-30 -73.68 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -85.75 109.12 18.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.947 0.404 . . . . 0.0 110.539 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -110.61 121.12 44.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.38 155.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.945 0.402 . . . . 0.0 111.041 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -84.82 97.55 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.781 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 14.7 tp -100.33 -171.47 2.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.364 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 13.4 tmtt? -54.96 -45.67 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -89.87 24.46 2.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.67 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.54 -163.17 32.31 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.551 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.444 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.6 m95 -61.88 122.65 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.287 -176.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -140.28 149.1 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.854 ' HE3' HG23 ' A' ' 98' ' ' THR . 31.9 mtp -83.54 133.5 34.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.763 -176.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.72 129.91 36.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.797 0.332 . . . . 0.0 110.42 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -95.77 156.26 16.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 p -81.67 9.85 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -108.93 44.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.898 0.856 . . . . 0.0 108.731 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -113.08 147.63 36.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.534 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 58.8 21.63 9.22 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.336 0.655 . . . . 0.0 112.135 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.22 29.28 68.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.191 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -116.52 82.13 1.74 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -99.24 44.46 1.02 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.711 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -103.13 159.22 15.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.629 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 67.2 mttm -94.16 -14.81 25.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -172.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -168.02 143.07 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -125.77 157.79 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.73 35.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 109.208 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.6 77.53 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.282 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -84.88 -2.82 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.756 2.304 . . . . 0.0 111.676 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.732 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 16.7 m -87.23 16.48 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.986 -174.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -70.45 -17.95 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 0.0 110.21 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.12 36.49 3.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.245 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 50.3 m -56.93 -37.26 71.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.878 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.94 -22.28 65.95 Favored 'General case' 0 C--N 1.334 -0.109 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.25 -51.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -61.59 -35.98 79.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.777 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.4 mm-40 -64.24 -40.69 96.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.017 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -63.48 -28.79 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.442 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.11 -1.41 57.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.76 0.314 . . . . 0.0 110.993 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER 65.71 41.18 4.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.334 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.23 -178.05 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.65 -155.03 9.51 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.35 176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.67 157.25 87.78 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.891 0.346 . . . . 0.0 111.063 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.732 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.4 Cg_exo -73.94 113.83 3.88 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.833 2.356 . . . . 0.0 112.081 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.44 -42.53 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.285 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -147.84 151.71 36.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -152.39 126.13 8.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.17 -175.75 42.24 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.222 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.629 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 26.9 Cg_exo -61.89 103.34 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.887 2.392 . . . . 0.0 111.692 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.48 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.4 t80 -99.29 -68.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.913 -171.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.2 tp -113.64 151.68 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 111.505 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 138.3 37.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.528 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.854 HG23 ' HE3' ' A' ' 58' ' ' MET . 14.4 t -144.28 151.3 39.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -109.38 58.34 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.502 0.668 . . . . 0.0 110.904 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.5 m -143.73 79.74 13.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.739 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.19 57.69 6.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.366 2.711 . . . . 0.0 112.277 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.693 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -144.33 -41.07 0.26 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.258 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.4 p -78.18 -10.74 59.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.542 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 58' ' ' MET . 11.5 p -89.91 143.31 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.881 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.94 154.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.384 0.612 . . . . 0.0 111.959 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 mt -118.72 130.82 73.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.715 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.9 OUTLIER -118.93 153.15 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.684 -0.407 . . . . 0.0 109.948 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.2 168.48 19.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.35 -102.47 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.485 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.855 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -124.66 137.04 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -52.29 116.08 2.06 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.674 0.608 . . . . 0.0 111.548 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.442 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 108.33 -13.52 36.55 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.537 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -98.95 132.06 44.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.193 0.521 . . . . 0.0 110.762 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.567 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 94.7 m-85 -114.15 39.45 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.031 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -60.4 -44.01 96.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.175 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -150.44 94.28 2.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.006 0.432 . . . . 0.0 110.224 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.3 m -108.52 148.76 29.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 t -124.43 175.46 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -62.29 139.4 58.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.677 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -81.21 62.99 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.914 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.65 91.47 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -144.72 166.61 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.019 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -59.45 -41.12 88.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.613 0.642 . . . . 0.0 111.025 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.38 166.32 18.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.7 t -158.54 97.71 1.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.459 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -87.94 128.39 35.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -70.24 132.5 45.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.45 125.74 27.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.468 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.48 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -114.44 144.83 18.45 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.707 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.676 HD23 ' HB3' ' A' ' 89' ' ' PRO . 3.6 tt -129.26 142.4 50.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.599 ' N ' HD22 ' A' ' 130' ' ' LEU . 87.3 m -119.79 109.17 15.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 52.1 m -101.31 154.33 18.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.59 90.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.556 0.217 . . . . 0.0 111.544 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.551 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 10.8 tp10 . . . . . 0 C--O 1.251 1.161 0 O-C-N 124.078 0.861 . . . . 0.0 109.347 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.669 0.271 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -118.22 100.67 7.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.103 0.478 . . . . 0.0 110.282 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.2 t -143.68 152.81 41.79 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.02 32.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.123 0.487 . . . . 0.0 111.86 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' A' ' 27' ' ' SER . 62.9 m-85 -125.28 3.41 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.954 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -109.62 138.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.38 -21.1 61.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.26 2.64 . . . . 0.0 112.673 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.53 -7.1 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -83.62 81.38 8.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.339 0.59 . . . . 0.0 109.529 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -76.6 129.23 36.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.06 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -140.5 158.08 44.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -149.82 153.73 37.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.274 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 130' ' ' LEU . 94.1 mt -107.03 124.95 50.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.497 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.508 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 43.5 p -65.74 148.27 52.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' NH1' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -75.62 60.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.159 0.504 . . . . 0.0 110.723 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -69.35 -42.36 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.67 -48.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.654 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -143.82 174.16 11.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.16 -8.05 56.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.498 -174.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 13.2 t -127.99 31.03 5.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 0.0 109.105 173.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -154.68 98.99 2.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.05 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.86 -151.48 11.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.983 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.26 142.38 39.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.47 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.54 126.52 52.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.003 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -117.45 151.2 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.614 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -82.9 101.27 10.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.702 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.16 -173.49 3.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.121 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -79.23 56.08 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 0.0 110.305 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -172.6 -40.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.737 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.52 -141.97 7.51 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.0 m95 -92.68 121.12 33.77 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.097 0.448 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.406 ' CD2' HG22 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -125.31 139.96 53.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.779 -178.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.8 mtp -80.25 131.34 35.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.503 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.88 123.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -95.68 140.35 30.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -66.68 -10.38 45.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.812 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -84.18 44.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 109.707 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -123.08 155.84 36.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.08 19.64 8.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.031 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.55 21.09 77.85 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.703 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -89.16 147.07 24.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.189 0.519 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -87.86 173.05 9.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.3 t -79.24 54.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.206 0.527 . . . . 0.0 110.649 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -147.2 167.53 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -90.51 128.77 36.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -95.17 170.1 9.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.582 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -84.7 48.97 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -167.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.551 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 10.1 t70 -170.3 90.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 171.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.05 -11.27 8.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.593 2.195 . . . . 0.0 110.972 170.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 m -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.925 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.551 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 15.2 mm100 -56.42 -24.23 43.68 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.87 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.75 7.23 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.0 p -59.76 -34.92 73.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.723 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.65 -39.12 93.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.675 178.549 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.02 -50.41 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.092 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.5 m -56.14 -39.6 72.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.666 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.42 -42.58 96.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.592 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -68.01 -25.38 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.06 7.51 37.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.672 0.272 . . . . 0.0 110.908 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.9 28.25 12.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.696 0.76 . . . . 0.0 110.561 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.46 172.19 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.977 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -138.4 4.59 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.812 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.95 155.76 90.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.408 . . . . 0.0 111.008 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.5 115.79 4.46 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.032 2.488 . . . . 0.0 111.701 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.2 -48.7 32.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.407 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.7 p -154.14 143.44 21.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.676 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.826 HD12 HD12 ' A' ' 130' ' ' LEU . 7.9 tt -141.66 145.27 34.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.98 -158.66 28.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.417 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.49 117.67 5.21 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.324 2.016 . . . . 0.0 111.366 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.684 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 65.0 t80 -137.97 123.32 19.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.8 tp 73.85 125.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.176 0.923 . . . . 0.0 111.398 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 48.8 mtmt -91.14 73.32 6.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.717 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.54 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.997 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 55.9 m-85 49.33 62.19 2.75 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.939 0.399 . . . . 0.0 111.106 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 m -121.95 89.78 48.37 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.784 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.59 50.69 3.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.141 2.561 . . . . 0.0 112.647 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.521 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 48.3 mt-30 -144.75 -62.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.151 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.9 m -81.72 -5.06 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.776 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -102.89 151.34 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.564 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' A' ' 57' ' ' HIS . 21.3 pt -124.06 151.09 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 111.092 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.9 mt -113.83 118.85 59.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.194 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 82.6 m -97.42 138.94 34.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.712 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -114.49 133.11 56.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.02 -148.7 16.83 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.452 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.31 136.03 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.985 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.84 121.42 11.1 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.448 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -18.17 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.923 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -96.6 116.64 29.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.15 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -107.12 12.91 27.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.241 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.3 m -80.07 3.27 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.186 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -149.11 81.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 40.7 m -127.08 150.16 49.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.458 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 m -125.44 157.87 35.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 64.7 t60 -56.77 130.57 46.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.232 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -73.28 101.41 3.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.034 0.445 . . . . 0.0 109.9 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 121' ' ' ARG . 6.2 tpm_? -93.23 27.11 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.523 0.678 . . . . 0.0 109.78 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -134.13 117.44 16.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.268 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.75 -41.37 92.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.787 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.1 ptp -82.65 56.77 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.382 0.611 . . . . 0.0 111.597 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -119.13 143.0 47.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.691 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -100.47 138.57 37.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.6 m -79.98 146.48 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tt -84.28 120.45 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.102 0.477 . . . . 0.0 109.902 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.684 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.83 146.42 16.07 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.826 HD12 HD12 ' A' ' 92' ' ' LEU . 63.3 tp -134.49 130.36 36.56 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.2 m -115.23 113.4 23.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.866 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.633 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 59.2 m -101.4 148.29 25.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.7 mt -69.42 94.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.059 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -137.26 102.89 4.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.753 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -133.49 160.04 38.62 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 20.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 111.578 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -111.19 -11.4 14.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.828 172.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -86.43 140.79 34.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.0 -10.8 25.0 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.939 2.426 . . . . 0.0 112.118 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.17 5.17 52.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.797 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -101.96 137.12 40.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.502 HE21 ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -128.29 139.69 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.18 156.22 41.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.769 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -143.52 153.05 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.548 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.76 125.99 47.27 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.8 p -66.1 161.7 21.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.252 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.13 -67.77 0.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.346 0.404 . . . . 0.0 110.735 -174.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t 54.64 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.483 0.489 . . . . 0.0 111.473 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -115.57 -39.15 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -162.89 160.57 25.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.612 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.48 -2.35 13.68 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.682 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.649 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 48.9 t -121.22 14.58 11.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.736 0.779 . . . . 0.0 109.642 176.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -156.08 89.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.815 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.82 -163.83 20.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.386 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.515 HE21 ' HB3' ' A' ' 95' ' ' PHE . 2.4 mp0 -74.5 146.37 42.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.51 108.01 18.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.035 0.445 . . . . 0.0 110.336 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.02 127.82 56.0 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.56 154.01 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.262 0.553 . . . . 0.0 112.193 -171.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 15.6 t80 -109.42 110.49 21.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -93.01 -67.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.119 0.485 . . . . 0.0 110.13 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -162.55 -38.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -64.5 -45.65 86.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.023 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 162.55 -140.37 6.5 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -102.35 124.97 48.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.941 0.401 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -138.13 147.52 44.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.3 mtp -86.46 144.84 27.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.808 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 140.2 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.67 0.271 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 11.3 m -96.09 154.68 17.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.749 177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.582 ' HA ' HD13 ' A' ' 128' ' ' LEU . 16.4 m -83.86 41.31 0.79 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -139.1 32.46 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . 57.7 m -98.72 146.28 26.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.367 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 60.79 25.69 15.55 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.683 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.82 18.91 79.15 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.322 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -95.89 127.18 41.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.939 0.399 . . . . 0.0 110.274 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 165.99 12.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.337 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.8 t -77.88 52.39 1.04 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 110.697 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.2 162.09 29.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -84.3 104.34 14.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.494 ' CZ2' HD23 ' A' ' 92' ' ' LEU . 17.6 p90 -74.17 162.77 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.793 0.806 . . . . 0.0 112.101 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.57 -25.78 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.314 -165.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -128.79 87.34 55.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.243 0.544 . . . . 0.0 111.94 -175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.891 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.0 Cg_exo -82.13 -3.66 11.65 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.249 2.633 . . . . 0.0 111.84 174.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.544 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.5 m -59.04 -26.16 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.415 -173.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -69.03 -5.67 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.429 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.3 17.72 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.996 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 p -54.9 -38.54 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.265 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -62.21 -30.62 71.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.37 -47.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.25 -39.77 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.806 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.68 -39.5 91.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -63.92 -28.7 70.01 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.808 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -91.66 8.23 37.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.17 48.03 8.73 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.782 0.801 . . . . 0.0 110.948 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.52 179.77 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.13 -148.12 15.09 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.982 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.83 152.65 96.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.994 0.426 . . . . 0.0 111.221 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 34.8 Cg_endo -71.3 121.32 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.566 2.177 . . . . 0.0 111.875 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.1 -49.9 11.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.832 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -155.4 149.91 26.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.926 ' HG ' HD11 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -136.86 120.66 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.852 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 128' ' ' LEU . . . -178.54 -141.1 4.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.94 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.21 150.26 20.03 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.475 2.116 . . . . 0.0 112.37 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.515 ' HB3' HE21 ' A' ' 47' ' ' GLN . 0.2 OUTLIER -139.89 125.13 18.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.303 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.8 mt 59.39 -176.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.519 0.676 . . . . 0.0 111.368 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 41.3 mtmt -137.23 52.97 1.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.989 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 m -78.52 -29.91 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.181 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 59.7 m-85 52.13 27.05 4.26 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 m -82.08 105.74 5.11 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.604 0.24 . . . . 0.0 110.944 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 83.3 Cg_endo -82.36 -2.7 11.22 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.972 2.448 . . . . 0.0 113.207 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -90.4 -25.84 20.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -98.11 -15.76 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.929 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.468 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 16.9 p -106.56 158.33 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.771 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.45 157.16 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.887 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.37 123.75 67.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.879 176.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 63' ' ' SER . 94.8 m -96.48 150.59 20.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.469 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -124.02 167.16 14.55 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.08 -134.08 11.58 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.991 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.64 141.4 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 111.31 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.82 112.79 0.76 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.502 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.07 -15.42 23.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.6 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -94.3 22.04 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.593 0.711 . . . . 0.0 109.579 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m -90.74 15.85 10.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.37 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -160.76 81.18 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.414 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 19.0 m -134.17 148.28 50.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.5 m -137.14 162.48 33.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -68.25 129.77 40.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -61.9 120.98 11.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.441 0.463 . . . . 0.0 111.721 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -84.54 -2.67 57.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.623 0.725 . . . . 0.0 109.398 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -97.67 113.19 24.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.03 31.26 0.55 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.369 0.604 . . . . 0.0 111.946 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.1 ptp -152.07 46.9 0.77 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.9 t -69.82 129.88 40.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.881 -173.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -78.47 118.67 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.684 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 p -68.75 134.83 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' ' 61' ' ' SER . 9.8 tt -98.51 146.49 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.439 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -147.32 168.1 28.43 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.375 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.926 HD11 ' HG ' ' A' ' 92' ' ' LEU . 59.6 tp -132.95 134.93 45.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.4 m -112.41 112.52 24.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.055 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.649 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 39.5 m -103.34 152.97 20.94 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.3 101.8 0.19 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.474 178.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.792 ' NH1' ' HG ' ' A' ' 115' ' ' SER . 19.2 mmm180 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.505 0.193 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -125.15 64.45 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.016 0.436 . . . . 0.0 110.848 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 29' ' ' TYR . 3.7 p -115.81 153.74 30.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 33.72 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' SER . 72.2 m-85 -124.33 -14.98 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 36.9 m-20 -82.6 141.81 45.39 Favored Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 12.1 Cg_exo -71.48 -2.68 11.67 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.137 2.558 . . . . 0.0 112.112 176.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.28 -10.64 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.82 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -83.11 106.39 14.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.125 0.488 . . . . 0.0 110.563 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.8 mt-30 -98.41 130.5 45.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.972 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.32 155.46 42.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.962 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.8 161.19 41.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.025 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 44' ' ' CYS . 84.3 mt -107.86 132.64 53.23 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 p -65.23 158.71 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.66 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.15 -70.69 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.28 0.362 . . . . 0.0 110.037 -175.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 t 58.66 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.747 0.655 . . . . 0.0 111.49 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.83 -39.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 23.3 t -160.07 165.21 32.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.335 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.654 0.264 . . . . 0.0 111.436 -176.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.689 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 98.7 m -110.9 33.37 4.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.132 0.491 . . . . 0.0 110.148 177.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 59.8 tt0 -156.4 80.74 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.693 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.51 -161.07 16.1 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.47 140.11 32.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -82.07 113.1 19.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.281 0.562 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -116.21 127.25 54.61 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.66 149.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 111.968 -171.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 51.9 t80 -93.7 100.24 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.845 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.07 -163.84 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.646 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -55.17 -41.05 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.463 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -82.63 -26.04 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.766 0.317 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.07 -151.24 20.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.779 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -71.28 118.55 14.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 111.287 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.446 ' HD2' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -137.53 150.5 47.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.435 176.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -89.81 151.67 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.2 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.42 134.36 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 t -92.65 143.43 26.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.764 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.2 m -73.37 62.05 0.69 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.99 0.424 . . . . 0.0 111.594 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.52 51.85 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -119.69 154.13 34.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.109 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 60.84 -89.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.171 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.41 27.42 1.22 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -121.2 128.85 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -85.41 -169.73 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.462 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -78.65 51.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 0.0 110.87 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.656 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -123.36 165.31 17.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.105 179.027 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.0 89.93 6.25 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.45 ' HH2' HD12 ' A' ' 128' ' ' LEU . 49.3 p90 -72.26 170.27 14.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -171.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -93.07 33.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.664 -170.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -149.2 61.39 5.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.106 0.479 . . . . 0.0 110.187 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -87.22 -16.21 3.36 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.538 2.158 . . . . 0.0 112.187 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.476 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 13.6 m -62.43 -17.14 58.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.689 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -58.87 -31.09 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.822 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.28 11.34 28.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.804 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 p -60.75 -29.92 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -70.37 -26.11 63.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.78 -46.81 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.03 -39.88 79.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.76 -43.69 94.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -66.74 -21.63 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.598 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.72 5.74 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 59.29 49.38 9.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.731 0.777 . . . . 0.0 111.236 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.1 m -127.95 168.05 15.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.303 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.27 -160.95 12.88 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.212 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.46 153.12 62.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.385 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.476 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 21.0 Cg_exo -64.72 116.14 3.63 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.933 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD13 HD21 ' A' ' 133' ' ' LEU . 3.9 tt -75.07 -48.28 24.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -148.16 148.29 30.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.565 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -142.56 115.06 8.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.18 -132.0 2.23 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.124 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -88.66 111.11 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.66 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.618 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 27.2 t80 -119.51 104.54 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.1 tp 69.27 166.48 0.27 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.83 0.706 . . . . 0.0 110.212 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -122.85 97.54 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.972 -0.455 . . . . 0.0 110.943 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 m -79.27 -33.32 43.56 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 48.14 52.35 13.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.739 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -111.25 97.29 34.8 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.2 54.55 2.77 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.456 2.771 . . . . 0.0 112.763 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.506 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 23.2 tt0 -157.98 -59.83 0.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.594 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' HD2' ' A' ' 57' ' ' HIS . 5.2 p -84.08 -22.93 31.0 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.332 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -87.87 95.61 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.8 pt -98.85 167.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 0.0 111.855 -170.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -112.73 124.63 69.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.578 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 76.3 m -94.65 151.06 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -124.4 160.78 27.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.25 -156.27 15.67 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.47 145.08 41.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.48 109.35 0.48 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.939 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.62 -10.59 16.28 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.414 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -97.75 112.02 24.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.119 0.485 . . . . 0.0 110.129 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -102.33 20.5 16.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.976 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.792 ' HG ' ' NH1' ' A' ' 25' ' ' ARG . 25.3 m -76.92 1.77 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.674 -175.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -156.66 93.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 34.4 m -122.31 133.25 54.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.953 0.406 . . . . 0.0 109.979 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -119.16 168.06 11.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.084 0.469 . . . . 0.0 111.22 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.506 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 26.7 t60 -62.6 125.33 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.362 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.3 t -65.38 121.57 15.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.403 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 11.7 tpt180 -118.68 31.12 6.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.365 0.602 . . . . 0.0 109.83 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -103.72 140.24 37.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.246 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.24 -33.51 67.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.199 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.1 ptp -107.57 136.86 46.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.1 t -146.21 112.38 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -107.2 147.21 30.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.718 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -72.09 119.85 16.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.423 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.45 HD12 ' HH2' ' A' ' 71' ' ' TRP . 26.8 tp -68.1 116.31 8.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.618 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -115.81 150.34 18.66 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.759 -175.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.7 tp -132.27 123.06 26.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 90.7 m -109.54 112.3 24.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.689 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 60.0 m -96.18 146.11 24.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 90' ' ' LEU . 56.6 mt -62.2 116.44 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 111.311 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' CD ' ' HG ' ' A' ' 42' ' ' SER . 4.2 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.993 175.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.806 0.336 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.46 74.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.183 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 29' ' ' TYR . 81.2 p -117.82 157.32 26.82 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.52 24.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 111.963 -177.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' SER . 58.7 m-85 -119.78 -2.69 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.047 172.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -89.94 141.53 28.18 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.161 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -69.59 -17.84 38.13 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.826 2.35 . . . . 0.0 111.54 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.04 -7.69 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.12 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -80.76 118.95 22.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.0 0.428 . . . . 0.0 110.846 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -114.08 133.55 55.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.108 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 163.31 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.906 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -142.23 149.2 39.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.007 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 130' ' ' LEU . 95.0 mt -98.89 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 168.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 26.1 p -55.28 138.36 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -74.32 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.639 0.733 . . . . 0.0 111.638 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 m -75.02 -52.52 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.088 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.33 -43.13 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.768 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -155.66 176.97 11.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.062 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -19.12 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.85 0.357 . . . . 0.0 110.418 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.0 t -117.06 25.93 10.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 109.722 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -158.79 102.03 1.66 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.062 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.91 -158.83 29.85 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.535 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 33.4 mt-30 -79.28 132.33 36.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -76.37 124.77 28.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.143 0.496 . . . . 0.0 111.272 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -122.59 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.72 153.21 22.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.712 0.291 . . . . 0.0 111.347 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -94.64 98.86 11.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD11 HD13 ' A' ' 105' ' ' ILE . 81.1 mt -90.26 -172.81 3.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.954 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.65 -40.96 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 111.145 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.5 -10.5 58.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.417 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.27 -153.24 17.99 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.875 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -72.73 133.37 44.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 137.96 27.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.748 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.463 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.8 mtp -82.44 159.05 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.334 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG21 ' HE2' ' A' ' 114' ' ' PHE . 37.4 t -110.85 136.34 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.728 0.299 . . . . 0.0 110.407 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.2 t -95.94 141.64 29.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -76.94 45.15 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.855 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -136.91 33.73 2.64 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -105.22 159.48 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.564 -174.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 58.4 28.3 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.645 174.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.34 18.4 71.41 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.955 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -97.89 134.77 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -74.36 161.92 29.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.693 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.0 m -74.48 58.17 0.75 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.337 0.589 . . . . 0.0 111.752 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -137.39 151.26 48.36 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -63.15 98.55 0.14 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.144 0.277 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -66.21 132.21 47.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 23.0 mt-10 -89.97 52.43 2.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.491 0.663 . . . . 0.0 110.755 -168.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.523 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 13.0 m-20 -135.49 53.71 9.14 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.87 175.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 6.1 Cg_exo -74.91 -23.53 13.91 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.788 2.325 . . . . 0.0 112.537 -171.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.648 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 8.2 m -61.9 -17.34 56.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.061 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.56 -19.13 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.69 0.281 . . . . 0.0 111.264 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.47 17.68 21.0 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.283 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 p -55.96 -37.28 68.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.055 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -59.3 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.388 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.12 -52.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 31.3 m -57.34 -41.37 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.442 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.63 -40.82 96.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.478 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.753 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 2.5 mmp_? -81.74 -4.83 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.656 -0.418 . . . . 0.0 112.08 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.63 11.17 37.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.534 168.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.27 33.93 13.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.452 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.58 168.06 9.75 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.751 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.89 -134.06 3.39 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.68 153.07 83.33 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.69 0.281 . . . . 0.0 110.871 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.648 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 6.2 Cg_exo -75.51 132.41 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.96 2.44 . . . . 0.0 111.672 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.13 -52.49 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.132 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -142.29 147.43 36.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.712 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.3 tt -144.63 119.76 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 171.57 -137.38 4.31 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.078 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.07 121.12 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.702 2.268 . . . . 0.0 111.787 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 32.9 t80 -138.03 117.31 12.72 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.561 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 97' ' ' LYS . 6.0 tt 70.61 141.41 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.9 0.75 . . . . 0.0 110.275 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.461 ' N ' HD23 ' A' ' 96' ' ' LEU . 49.9 mtmt -117.55 87.1 2.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.953 -0.467 . . . . 0.0 111.496 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.7 t80 50.55 62.73 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.219 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -125.03 85.0 58.44 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.866 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.72 53.26 2.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.497 2.798 . . . . 0.0 112.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -143.73 -51.18 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.538 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.1 m -79.66 -7.07 58.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.2 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 p -106.99 143.0 35.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.723 HD13 HD11 ' A' ' 52' ' ' LEU . 30.8 pt -113.15 157.99 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.463 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -118.3 119.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -95.78 147.98 23.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -126.36 143.7 51.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 114.72 -143.09 17.95 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.24 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -70.82 128.86 37.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 111.606 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.95 111.9 0.84 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.862 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.64 21.44 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.614 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.3 t -92.35 122.52 34.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.039 0.447 . . . . 0.0 110.463 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.424 ' HE2' HG21 ' A' ' 59' ' ' VAL . 96.9 m-85 -106.53 22.71 15.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.393 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m -94.36 2.87 55.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.694 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -146.52 77.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.5 m -130.61 143.26 50.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.335 -177.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -119.88 160.56 22.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.152 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.55 136.31 55.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 t -57.48 97.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.534 0.521 . . . . 0.0 111.438 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 6.1 tpt180 -111.15 21.71 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 109.401 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -94.71 172.76 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.343 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.19 -59.84 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.339 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.9 ptp -118.12 160.14 22.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.5 t -146.47 149.3 33.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.149 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -132.01 140.44 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.4 m -71.59 125.45 27.12 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 123.225 0.328 . . . . 0.0 110.636 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.0 tp -73.14 119.08 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.248 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.582 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -110.9 138.17 14.78 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.761 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.712 HD13 ' HG ' ' A' ' 92' ' ' LEU . 64.1 tp -132.57 128.02 36.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.1 m -116.57 120.13 37.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.0 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.726 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -116.36 154.2 30.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.02 89.96 0.31 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.806 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.251 1.147 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 172.061 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HA ' ' OG ' ' A' ' 115' ' ' SER . 71.7 mtm180 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.0 mt -130.03 60.06 1.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.126 0.489 . . . . 0.0 110.136 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 3.5 m -89.79 154.8 19.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.24 16.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.667 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.5 m-85 -107.0 -3.31 20.23 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.389 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -95.69 139.36 21.86 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.756 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -8.62 21.14 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.982 2.454 . . . . 0.0 111.868 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.79 -12.32 51.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.88 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.12 127.06 32.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.115 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -118.97 128.38 54.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.813 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.34 164.21 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.662 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -145.67 143.72 29.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.295 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' H ' HD21 ' A' ' 84' ' ' LEU . 91.0 mt -98.06 127.29 43.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.62 ' HB ' ' NH1' ' A' ' 39' ' ' ARG . 75.8 p -58.88 147.38 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.473 0.483 . . . . 0.0 111.463 -175.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.62 ' NH1' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.16 52.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.456 179.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -70.3 -70.09 0.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.218 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -119.72 -38.86 2.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.996 0.427 . . . . 0.0 111.055 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.878 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 45.7 t -136.89 156.54 48.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.239 -177.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -60.44 -21.91 62.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.116 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 92.9 m -131.6 40.69 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 110.177 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.878 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 44.0 tt0 -152.85 100.74 2.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.536 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.98 -158.87 24.16 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.216 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.78 142.9 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 tp -88.68 108.65 19.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.826 0.346 . . . . 0.0 110.971 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 51.6 mt-10 -103.0 128.84 49.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.19 148.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.837 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -93.8 105.46 17.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.969 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.97 -158.75 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.286 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.0 -38.26 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.63 4.65 53.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 111.408 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.43 -147.53 18.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.118 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -80.98 130.9 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.818 0.342 . . . . 0.0 110.605 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.66 144.19 32.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.0 mtp -79.95 147.26 31.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.393 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.17 133.53 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.4 t -92.21 134.08 35.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -59.27 -21.7 60.03 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.269 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.431 HE21 ' HB2' ' A' ' 68' ' ' SER . 7.3 tp-100 -87.82 68.69 9.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.496 0.665 . . . . 0.0 109.839 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.0 m -127.32 158.87 36.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.08 18.65 9.21 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.541 0.526 . . . . 0.0 112.301 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.71 96.54 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.435 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -108.78 150.19 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.995 0.397 . . . . 0.0 110.322 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -55.92 132.11 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB2' HE21 ' A' ' 62' ' ' GLN . 32.4 t -77.55 51.78 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.245 -172.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 mtpp -124.56 -92.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.619 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 54.0 mt-30 -154.3 121.38 5.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -76.86 128.66 34.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.78 46.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.806 0.812 . . . . 0.0 110.699 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -148.06 64.15 7.98 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.528 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.99 -9.86 8.46 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.965 2.443 . . . . 0.0 113.784 -168.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.469 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.5 m -72.12 -6.39 42.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.13 -175.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.72 -23.26 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.035 0.445 . . . . 0.0 110.449 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.57 25.64 3.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 p -57.94 -43.78 86.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.888 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.667 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 29.4 mtpp -67.83 -17.02 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.74 -53.46 20.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.4 m -62.49 -38.25 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 79' ' ' LYS . 33.6 tt0 -57.78 -45.55 85.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.693 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.688 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.99 8.68 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.593 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.8 t30 63.65 49.26 3.06 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.045 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m -132.69 173.7 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.472 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.58 -167.82 29.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.74 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.2 155.57 90.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 111.681 -174.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 17.7 Cg_exo -65.32 121.6 9.08 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.257 2.638 . . . . 0.0 112.715 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.37 -51.27 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 p -145.37 149.08 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.709 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.816 HD12 HD13 ' A' ' 130' ' ' LEU . 67.8 tp -141.95 135.79 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.619 ' HA3' ' HG2' ' A' ' 70' ' ' GLN . . . 167.05 -139.36 5.69 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.954 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 61.3 Cg_endo -93.9 126.57 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.96 2.44 . . . . 0.0 112.546 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.462 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 57.6 t80 -139.76 116.15 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.9 tp 57.97 85.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.853 0.721 . . . . 0.0 111.234 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 48.9 mtmt -65.11 96.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 -28.13 68.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.43 71.03 0.55 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.363 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m -149.45 99.66 3.38 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.588 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.43 -19.39 64.14 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.211 2.607 . . . . 0.0 113.078 -174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.661 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 28.6 tt0 -84.33 -36.43 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.908 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.1 m -83.94 -17.09 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.066 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 p -111.8 150.35 30.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.903 0.383 . . . . 0.0 110.686 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 58' ' ' MET . 25.3 pt -123.06 157.34 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.16 127.09 73.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.452 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -101.1 145.87 28.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.967 0.413 . . . . 0.0 111.522 -176.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -126.04 149.52 48.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.648 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.04 -143.97 16.5 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.23 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -77.13 136.96 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.896 0.379 . . . . 0.0 110.782 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -55.51 112.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.269 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.39 -5.3 38.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.592 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.1 t -101.49 118.41 36.9 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.483 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -98.41 32.18 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.557 0.694 . . . . 0.0 109.505 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 25' ' ' ARG . 12.9 m -78.89 -18.95 53.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.076 -177.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -144.63 88.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.314 0.578 . . . . 0.0 110.278 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.2 m -124.33 154.98 39.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.028 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 m -136.68 175.41 9.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.608 0.242 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.661 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.2 t60 -58.07 139.15 55.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -68.74 95.78 0.69 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.409 0.623 . . . . 0.0 110.032 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -94.05 16.01 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.645 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 42.0 t-20 -116.13 128.59 55.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.96 -15.79 56.55 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.645 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.4 ptp -93.16 35.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.751 0.786 . . . . 0.0 109.964 177.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.46 152.18 43.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.08 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -134.94 135.21 41.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.99 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -68.86 122.74 19.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 93' ' ' GLY . 34.6 tp -72.02 125.05 26.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.079 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.462 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -119.24 138.37 13.39 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.865 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 92' ' ' LEU . 61.8 tp -125.58 129.39 49.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.8 m -110.34 106.94 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.046 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.5 m -93.16 148.89 21.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.96 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.98 101.11 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 110.285 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.225 177.034 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -113.31 86.98 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.359 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 7.9 m -95.43 153.75 17.54 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 12.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -102.52 -12.59 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.087 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -78.7 148.03 72.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.226 0.536 . . . . 0.0 111.273 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 58.7 Cg_endo -71.62 -9.07 24.42 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.521 2.814 . . . . 0.0 112.823 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.74 6.6 39.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -80.15 135.71 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.027 0.441 . . . . 0.0 111.1 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -134.47 131.7 38.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.114 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.5 160.28 39.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -142.7 166.51 24.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.591 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 90.2 mt -112.91 140.55 47.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.8 p -67.96 168.55 11.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.414 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.717 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -84.62 53.15 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.938 -172.008 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -74.1 -71.08 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.759 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -111.19 -54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 109.741 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 t -150.67 -170.84 3.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.006 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -25.84 53.83 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.313 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.3 m -101.22 18.09 20.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.96 108.25 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.966 0.412 . . . . 0.0 111.342 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.81 -162.85 35.24 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.776 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 2.2 mp0 -76.69 145.53 38.68 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.88 115.93 23.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -111.61 123.72 50.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.508 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.56 153.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.222 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -93.3 112.5 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.375 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 HD11 HD12 ' A' ' 105' ' ' ILE . 80.7 mt -111.63 -170.42 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.2 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -51.34 -47.46 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -84.75 1.66 45.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.89 -143.79 17.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.578 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -78.86 134.71 36.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.966 0.412 . . . . 0.0 111.178 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.38 135.37 23.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.778 176.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 105' ' ' ILE . 61.5 mtp -74.77 150.32 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.518 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.33 134.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.836 0.35 . . . . 0.0 110.501 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.8 t -92.79 147.09 23.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.272 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -81.29 32.75 0.34 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.778 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -131.53 31.27 4.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.734 0.778 . . . . 0.0 108.964 174.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -101.05 155.06 18.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.793 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 59.05 27.44 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.766 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 19.02 76.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.886 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -101.03 146.35 27.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.005 0.431 . . . . 0.0 110.432 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.6 p -110.35 -165.87 1.04 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 t -74.55 70.96 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.175 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.83 149.56 51.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.224 -179.097 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -104.54 85.25 2.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -65.92 163.55 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -86.05 49.95 1.88 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.845 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -161.18 80.08 2.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.234 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.84 -16.37 18.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 111.268 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.401 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 3.7 p -69.42 -3.35 14.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.104 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -54.46 -31.26 55.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.598 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.27 29.7 7.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.774 0.321 . . . . 0.0 111.635 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -58.19 -37.57 75.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.283 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmpt? -69.87 -30.0 67.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.306 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.05 -45.47 90.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -37.99 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.273 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.05 -40.11 95.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 40.6 mmt180 -63.54 -31.85 73.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.3 mt -92.84 -0.63 57.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.109 0.48 . . . . 0.0 110.958 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 57.91 44.99 19.0 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.417 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.59 -175.66 2.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.776 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.55 -166.94 39.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.543 ' OD1' ' HD2' ' A' ' 89' ' ' PRO . 34.7 t70 -66.23 143.24 98.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 122.642 0.377 . . . . 0.0 110.723 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.543 ' HD2' ' OD1' ' A' ' 88' ' ' ASP . 31.9 Cg_endo -67.93 116.56 4.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.766 2.31 . . . . 0.0 112.282 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 133' ' ' LEU . 3.7 tt -79.02 -50.19 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.925 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 p -144.09 143.05 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.087 -174.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 93' ' ' GLY . 6.0 tt -137.79 128.95 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.404 ' N ' HD22 ' A' ' 92' ' ' LEU . . . 157.91 -162.52 32.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.014 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.23 97.12 0.29 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.619 2.212 . . . . 0.0 110.839 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -91.47 -29.12 17.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.246 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 tp -146.61 157.17 43.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -128.26 74.89 1.58 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -8.06 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.585 0.707 . . . . 0.0 111.554 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 20.7 t80 55.35 45.21 25.95 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.483 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.3 m -114.03 87.3 12.68 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.725 0.297 . . . . 0.0 111.214 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 2.0 Cg_endo -82.18 50.44 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.171 2.581 . . . . 0.0 111.492 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.749 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -128.73 -58.6 1.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.051 -178.306 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m -87.24 12.77 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 p -112.4 148.72 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.506 . . . . 0.0 111.464 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.538 HD12 HD11 ' A' ' 52' ' ' LEU . 31.7 pt -121.04 154.05 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.1 131.36 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.5 t -118.97 156.31 29.81 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.101 -173.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.455 ' HB2' HD21 ' A' ' 116' ' ' ASN . 50.8 m-85 -129.07 160.51 32.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.779 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.0 -156.39 15.61 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.622 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -68.41 136.92 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.227 0.211 . . . . 0.0 110.463 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.73 114.27 1.99 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.039 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.64 -8.51 32.23 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.633 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.519 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 5.9 t -102.69 115.37 30.46 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.977 0.418 . . . . 0.0 110.502 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -93.47 41.69 1.09 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.625 0.726 . . . . 0.0 109.439 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -81.7 -43.61 18.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.515 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.455 HD21 ' HB2' ' A' ' 108' ' ' TYR . 10.6 t30 -119.26 75.49 1.05 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.209 0.528 . . . . 0.0 110.157 -176.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.7 m -108.64 158.81 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.061 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.6 m -147.53 168.2 22.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.447 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -62.38 132.31 52.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.0 t -74.08 100.82 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.216 0.531 . . . . 0.0 110.911 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -103.97 45.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.92 0.867 . . . . 0.0 108.886 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -116.9 125.28 51.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.024 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.19 -27.86 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.895 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.0 ptp -99.43 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 110.249 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.88 105.5 9.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.765 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -94.82 139.26 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -75.91 122.08 23.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.75 137.33 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.87 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -137.52 162.58 25.46 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.721 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.3 tp -131.72 139.69 49.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.6 m -119.93 104.8 10.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.638 0.256 . . . . 0.0 110.695 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.8 m -94.63 137.01 34.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 90' ' ' LEU . 89.0 mt -60.8 121.03 11.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.047 173.115 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD12 HD21 ' A' ' 52' ' ' LEU . 61.7 mt -133.02 100.22 4.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.503 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -101.54 146.54 27.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -68.48 1.24 3.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.932 -178.516 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.63 -5.49 24.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.832 0.349 . . . . 0.0 110.127 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -71.03 142.52 87.71 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.04 -18.87 57.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -124.3 33.27 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.555 0.693 . . . . 0.0 110.573 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 86.0 t80 -76.68 125.89 30.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -109.95 121.04 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.028 0.442 . . . . 0.0 111.259 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.74 163.11 38.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.398 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 170.89 21.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.379 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 44' ' ' CYS . 49.1 mt -117.33 142.41 47.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.959 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 p -63.81 167.43 6.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.669 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -76.26 53.09 0.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.968 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 m -81.78 -24.15 36.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -170.15 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -145.83 170.66 16.1 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.592 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -76.19 -3.08 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -171.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.602 ' HA ' HD12 ' A' ' 37' ' ' LEU . 89.7 m -118.23 24.24 11.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 111.632 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 18.9 pt20 -161.05 120.6 2.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.301 0.572 . . . . 0.0 110.497 172.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.65 -151.61 23.25 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.024 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.01 134.97 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' HA ' HD21 ' A' ' 37' ' ' LEU . 51.5 tp -80.88 118.87 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.109 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -112.38 134.1 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.595 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.47 148.12 19.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -97.87 101.36 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.136 0.493 . . . . 0.0 110.828 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD21 HD12 ' A' ' 26' ' ' LEU . 53.4 mt -99.18 -177.24 3.55 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.44 -27.26 68.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.228 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -79.34 -4.48 51.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.713 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.5 -167.45 12.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.886 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -76.2 120.3 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -136.03 140.7 44.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.109 0.48 . . . . 0.0 111.483 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtp -72.88 145.4 46.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.211 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.19 129.37 43.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 120.758 0.313 . . . . 0.0 110.185 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.54 141.29 28.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -62.11 -15.14 43.31 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -91.84 31.5 1.22 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -88.98 155.0 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.852 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 55.53 22.78 5.4 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.416 0.687 . . . . 0.0 112.037 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.61 32.4 78.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.482 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HD2' HD13 ' A' ' 111' ' ' LEU . 3.1 mmp_? -78.54 162.46 26.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -79.24 131.69 36.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.887 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.1 t -77.63 71.63 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.299 0.571 . . . . 0.0 110.253 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -154.04 174.48 14.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.64 112.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -73.05 136.79 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.145 0.498 . . . . 0.0 110.443 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -73.62 -25.54 60.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.572 -170.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 78.99 70.93 Favored Pre-proline 0 N--CA 1.464 0.252 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.25 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.756 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 15.6 Cg_exo -70.92 -13.58 31.84 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 111.668 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.4 m -61.0 -27.89 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.791 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -66.22 -8.85 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.761 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.78 16.54 26.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.02 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 13.0 p -57.16 -33.39 67.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.905 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -52.68 -36.41 57.08 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.45 -48.53 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 m -63.15 -36.01 82.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 78' ' ' SER . 48.8 mt-30 -64.19 -43.4 95.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.953 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -67.73 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -90.79 2.62 55.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.73 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 59.54 42.49 17.43 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.829 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 92.4 m -126.01 171.31 10.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -75.66 -171.34 30.37 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.491 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.1 155.33 16.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.59 0.756 . . . . 0.0 111.969 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.1 Cg_endo -81.99 120.6 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.182 2.588 . . . . 0.0 112.257 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 133' ' ' LEU . 79.5 mt -88.0 -44.94 10.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 -177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -134.39 149.5 50.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.1 tt -156.77 123.47 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.6 -162.4 28.48 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.611 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -64.8 87.16 0.17 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.712 2.274 . . . . 0.0 111.532 176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.528 ' HB3' HD12 ' A' ' 96' ' ' LEU . 11.7 t80 -96.73 -26.51 15.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 -176.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 95' ' ' PHE . 5.8 mp -135.13 169.66 17.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.719 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -132.82 77.99 1.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -71.38 -36.45 71.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.466 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 56.36 69.78 0.71 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.365 0.602 . . . . 0.0 110.641 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.6 m -145.23 85.33 8.12 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.79 44.99 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.214 2.609 . . . . 0.0 113.281 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -131.47 -52.74 1.01 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.7 m -76.26 -29.04 57.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.602 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 130.39 35.11 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.801 0.334 . . . . 0.0 110.994 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.54 150.22 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.705 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.7 mt -111.13 115.06 48.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.2 t -100.52 154.2 18.74 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.841 -174.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -123.42 156.27 35.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.43 -148.98 16.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.872 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.96 146.91 24.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.527 HD13 ' HD2' ' A' ' 66' ' ' ARG . 55.3 tp -52.97 112.43 0.85 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.791 0.436 . . . . 0.0 111.626 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.21 -8.3 52.92 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.62 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 t -104.78 106.88 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.971 0.415 . . . . 0.0 110.293 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.29 60.96 6.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.667 0.746 . . . . 0.0 109.301 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.1 m -71.44 -55.12 8.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.877 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -136.42 104.4 5.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.807 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.4 m -106.71 144.48 33.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.187 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 m -117.39 139.74 50.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -67.41 122.79 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -50.15 113.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.722 0.639 . . . . 0.0 112.367 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -87.47 28.75 0.94 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.547 0.689 . . . . 0.0 109.466 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -132.04 136.57 47.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.502 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.19 -27.24 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.832 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.02 150.62 24.09 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.552 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.6 t -162.83 148.66 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.119 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -108.92 131.57 54.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.776 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -75.96 121.05 22.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.02 106.47 4.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.955 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -96.86 125.29 8.42 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.781 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.479 HD13 ' HG ' ' A' ' 92' ' ' LEU . 59.4 tp -113.48 130.03 56.42 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.4 m -120.69 106.8 12.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.745 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.4 m -95.53 159.01 15.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 90' ' ' LEU . 21.9 mt -63.85 89.39 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.124 0.488 . . . . 0.0 110.663 175.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.925 178.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' A' ' 115' ' ' SER . 29.4 mtm-85 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.978 0.418 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 114' ' ' PHE . 93.6 mt -134.27 100.94 4.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.745 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.3 m -84.48 146.64 27.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -76.83 15.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.663 0.745 . . . . 0.0 110.404 176.552 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' SER . 88.5 t80 -106.54 -9.06 16.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.094 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.49 139.48 86.67 Favored Pre-proline 0 CA--C 1.518 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.449 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.65 -56.84 2.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.235 2.623 . . . . 0.0 113.187 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 36.36 2.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.917 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -74.77 115.56 14.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -100.31 132.91 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -148.76 154.5 39.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.654 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -130.7 153.82 48.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 0.0 110.12 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 130' ' ' LEU . 79.0 mt -111.12 126.03 54.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 40' ' ' SER . 68.4 p -72.51 170.59 14.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.275 -166.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -75.55 23.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.363 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 38' ' ' THR . 31.2 m -73.63 -28.61 61.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.862 0.363 . . . . 0.0 111.008 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 2.1 t-20 -144.79 -58.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 8.3 t -160.97 163.2 31.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -64.15 -11.26 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.705 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 23.0 t -117.66 15.49 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.407 . . . . 0.0 110.869 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 14.3 pt20 -167.6 112.91 0.71 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.311 0.577 . . . . 0.0 110.927 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.4 -152.19 11.76 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HG2' HD13 ' A' ' 96' ' ' LEU . 41.1 mt-30 -71.6 133.56 45.82 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -86.05 109.64 18.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.941 0.4 . . . . 0.0 110.749 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -113.05 121.49 44.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 175.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.54 153.9 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.121 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -87.87 115.7 25.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.247 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.557 HD12 HD11 ' A' ' 105' ' ' ILE . 89.1 mt -112.39 -173.21 2.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.601 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -50.43 -50.17 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.267 0.354 . . . . 0.0 111.676 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.789 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 5.3 m-20 -69.33 -39.67 78.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 0.0 110.801 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.4 -150.37 22.46 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.592 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 91.0 m95 -71.94 135.53 46.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.12 0.486 . . . . 0.0 111.312 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.789 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 69.9 m80 -138.94 141.21 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.364 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.522 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 67.3 mtp -80.34 137.2 36.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.194 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.83 125.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.458 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.88 135.78 33.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.766 ' HA ' HD13 ' A' ' 128' ' ' LEU . 14.6 m -61.95 -21.57 64.91 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -172.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.59 32.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.7 0.286 . . . . 0.0 111.644 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 m -92.89 154.44 18.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.64 0.257 . . . . 0.0 111.049 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 57.43 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.42 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.54 39.16 0.7 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.481 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.575 ' HD3' HD13 ' A' ' 111' ' ' LEU . 10.2 mmm180 -97.55 129.04 44.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.215 -177.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.659 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 7.0 m -79.07 162.77 25.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.812 176.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.3 63.1 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 109.667 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 64.5 pttt -156.27 170.98 21.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.041 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.577 HE22 ' HA ' ' A' ' 91' ' ' SER . 5.2 tp60 -69.31 110.12 4.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -72.78 143.06 48.07 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.09 -2.8 11.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.81 98.27 4.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 0.0 111.097 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -94.15 0.63 3.05 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.158 2.572 . . . . 0.0 112.092 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.506 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.2 m -63.43 -19.8 65.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.196 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -55.16 -30.73 60.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.725 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.05 22.17 3.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.495 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 20.9 t -54.26 -49.7 68.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.61 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmmm -63.23 -26.29 68.72 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.48 -52.08 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -57.0 -41.97 79.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.676 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 78' ' ' SER . 84.1 mt-30 -67.59 -39.67 84.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -66.62 -23.79 66.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 111.072 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.57 7.94 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 61.06 41.25 14.09 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.442 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.6 m -112.87 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.403 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.46 -140.07 3.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.374 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.19 159.71 64.46 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.543 0.211 . . . . 0.0 110.494 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.8 Cg_exo -73.71 134.43 20.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.996 2.464 . . . . 0.0 112.341 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.72 -54.67 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.577 ' HA ' HE22 ' A' ' 70' ' ' GLN . 15.7 p -138.19 148.34 44.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.798 0.333 . . . . 0.0 110.824 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 130' ' ' LEU . 44.1 tp -148.61 86.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.45 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.54 -163.15 18.32 Favored Glycine 0 C--O 1.225 -0.406 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 92.49 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.318 2.012 . . . . 0.0 112.261 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.3 t80 -87.34 -25.63 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.2 mp -128.42 138.98 52.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.724 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 50.3 tttp -90.89 24.21 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.859 0.837 . . . . 0.0 109.512 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -79.3 134.82 36.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' HE2' ' HA ' ' A' ' 124' ' ' MET . 19.5 m-85 -107.84 121.12 44.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.611 178.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 m -132.33 83.69 54.22 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.6 65.52 5.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.183 2.589 . . . . 0.0 112.443 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.04 -64.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.452 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 p -87.05 -22.07 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.462 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.522 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 20.1 m -77.6 124.23 27.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 110.274 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 52' ' ' LEU . 42.8 pt -113.66 162.94 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.082 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.8 tt -128.5 130.92 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 174.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.75 155.75 34.6 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.23 -172.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -134.93 161.62 34.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.935 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.53 -125.84 4.52 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -98.77 135.41 40.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.575 HD13 ' HD3' ' A' ' 66' ' ' ARG . 56.7 tp -59.56 103.27 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 110.743 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.593 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 125.58 -14.99 7.18 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.176 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.745 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 21.1 t -115.91 123.08 47.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.049 0.452 . . . . 0.0 111.126 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 91.3 m-85 -82.3 63.23 6.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 4.8 m -64.73 -60.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.701 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -138.65 102.62 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.0 150.84 33.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.433 -173.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -137.69 177.03 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -85.31 136.76 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.5 t -59.58 103.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -93.44 35.42 1.1 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.368 0.604 . . . . 0.0 110.111 174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -115.24 165.46 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.3 -44.22 63.05 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.501 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.504 ' HA ' ' HE2' ' A' ' 99' ' ' TYR . 25.4 ptt? -93.77 156.48 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.502 -174.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 51.6 t -177.34 130.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 27.6 m80 -120.22 136.37 54.67 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.453 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.596 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 49.5 m -66.3 118.86 10.57 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.842 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.766 HD13 ' HA ' ' A' ' 61' ' ' SER . 7.5 tt -76.07 130.93 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.765 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.461 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -116.54 130.85 9.2 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.735 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 92' ' ' LEU . 53.6 tp -107.61 122.23 46.26 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.404 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.9 m -110.86 108.84 18.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.818 175.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.705 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.7 m -98.43 157.32 16.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.01 93.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.102 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 41.9 tt0 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.254 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.131 0.491 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -104.27 55.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 172.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -120.3 156.23 31.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.599 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CD1' ' HD1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -73.68 12.44 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.434 ' HD1' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-85 -110.11 -0.85 17.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.001 0.429 . . . . 0.0 110.181 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.9 125.69 54.28 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.791 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.16 -12.59 33.28 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.018 2.478 . . . . 0.0 111.987 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.97 -7.96 56.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -87.73 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.368 . . . . 0.0 110.586 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -120.15 143.87 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.29 170.62 21.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.386 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -147.29 172.33 14.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 44' ' ' CYS . 96.5 mt -115.55 132.79 56.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -58.28 149.92 23.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.583 -175.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -73.73 60.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.784 0.802 . . . . 0.0 111.058 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -87.23 -54.89 4.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.89 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -119.43 -49.6 2.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -159.97 -179.16 7.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -66.86 -30.41 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 111.598 -175.513 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.822 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 97.0 m -115.54 31.18 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.022 0.439 . . . . 0.0 111.096 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -157.22 100.74 1.86 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 0.0 110.217 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.72 -145.58 6.86 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.581 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.747 HE22 ' HB ' ' A' ' 98' ' ' THR . 64.7 mt-30 -104.19 139.36 39.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.36 117.12 11.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 111.554 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -120.96 121.43 38.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -108.76 152.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -171.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -97.88 95.37 7.47 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.745 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.03 -170.95 2.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -56.33 -35.96 68.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.208 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.81 -31.29 22.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.546 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.25 -147.29 17.96 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.87 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -84.82 125.39 32.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 0.0 111.467 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -135.75 140.96 44.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.69 ' HE1' ' HA ' ' A' ' 99' ' ' TYR . 78.5 mtp -80.58 141.59 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.31 124.58 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 t -88.17 135.74 33.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -70.58 -8.9 55.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.835 ' HA ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.75 -9.81 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.056 0.455 . . . . 0.0 110.756 177.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -62.43 155.71 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.428 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 61.99 22.63 13.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.999 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.61 42.86 97.15 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.464 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.537 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . 22.2 mmt180 -111.54 138.87 47.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 111.249 -177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -83.78 168.06 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -78.67 66.7 4.24 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.486 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -139.56 158.55 43.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.761 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 9.8 tt0 -83.62 140.32 32.27 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.537 ' CH2' ' HB3' ' A' ' 66' ' ' ARG . 15.9 m95 -83.38 153.2 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -173.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.77 -25.48 67.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.756 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -124.83 97.82 37.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.84 -14.25 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.261 1.974 . . . . 0.0 112.186 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -73.52 1.15 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.953 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.08 -22.45 66.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 110.67 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.93 18.43 22.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -57.87 -37.33 73.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -59.35 -37.58 78.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.39 -51.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 60.8 m -61.21 -42.08 97.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.82 -35.93 82.05 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.726 -0.215 . . . . 0.0 110.52 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -27.15 67.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.018 0.437 . . . . 0.0 110.062 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.84 2.91 50.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 68.76 43.75 1.22 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.628 0.727 . . . . 0.0 110.68 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.5 m -133.79 159.24 41.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.783 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.37 -159.49 28.02 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.934 -174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.03 140.54 69.69 Favored Pre-proline 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 0.0 112.2 -174.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.83 109.18 1.03 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.386 2.724 . . . . 0.0 112.146 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.23 -32.25 70.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.62 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -148.24 143.31 26.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.245 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 6.0 tt -152.22 117.35 5.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.53 -173.6 37.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.509 -0.853 . . . . 0.0 111.84 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.64 122.2 10.49 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.945 2.43 . . . . 0.0 112.419 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -135.82 99.08 4.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.608 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.8 mt 64.58 -175.95 0.17 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.21 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -131.73 46.59 2.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.396 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.747 ' HB ' HE22 ' A' ' 47' ' ' GLN . 1.5 m -83.7 6.84 19.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.205 0.526 . . . . 0.0 110.162 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.69 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 31.1 p90 -53.66 129.16 32.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.306 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 103' ' ' SER . 24.3 m -82.14 111.0 23.89 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.25 -24.07 57.52 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.974 2.45 . . . . 0.0 113.225 -172.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.36 -19.19 28.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.3 . . . . 0.0 111.045 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.427 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 13.0 m -109.75 -6.1 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.671 -173.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 5.4 p -97.52 143.06 28.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.008 0.432 . . . . 0.0 110.804 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 pt -122.58 155.87 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 0.0 111.433 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.481 HD13 ' H ' ' A' ' 121' ' ' ARG . 49.9 mt -116.49 118.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.388 172.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 7.5 t -105.71 157.43 17.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -124.19 155.66 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.974 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.81 -140.52 14.79 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.82 145.74 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.16 108.13 0.34 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.79 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.401 ' HA3' ' CE2' ' A' ' 28' ' ' TRP . . . 103.33 -3.24 47.03 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.925 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.2 t -102.2 113.1 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.958 0.409 . . . . 0.0 110.22 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.5 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.7 m-85 -92.68 49.66 1.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.176 0.513 . . . . 0.0 110.143 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -77.01 -30.67 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -148.84 97.21 2.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.888 0.375 . . . . 0.0 110.187 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.2 m -123.23 156.94 34.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -143.58 174.89 10.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.08 145.63 45.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -52.64 115.49 1.82 Allowed 'General case' 0 C--O 1.231 0.121 0 O-C-N 123.321 0.388 . . . . 0.0 110.401 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.481 ' H ' HD13 ' A' ' 106' ' ' ILE . 9.3 tpt180 -86.96 -5.58 59.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.249 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.55 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 10.0 t-20 -123.4 151.43 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.52 -51.12 31.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.55 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.3 ptp -78.82 130.83 36.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.283 0.563 . . . . 0.0 110.067 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.1 t -152.64 139.32 18.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.216 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -110.04 124.8 52.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.3 m -63.05 140.61 58.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.57 104.7 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -89.83 136.71 13.66 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.18 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.508 ' HB3' HD22 ' A' ' 37' ' ' LEU . 56.5 tp -131.16 121.52 25.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 59.0 m -113.27 100.51 8.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.737 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.5 m -90.04 154.38 19.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 tt -75.16 81.03 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.822 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 10.0 pt-20 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.734 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.03 120.65 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.098 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.3 p -133.33 155.0 50.24 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 24.48 0.11 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 111.958 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.5 m-85 -123.59 8.15 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.632 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -93.41 128.5 42.27 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.5 -13.79 41.61 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.602 2.202 . . . . 0.0 112.696 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.91 3.66 49.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.903 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -75.98 129.37 36.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -112.22 135.97 52.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -154.88 162.53 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.903 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 44' ' ' CYS . 95.4 mt -110.78 146.3 36.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 60.2 p -63.38 158.42 20.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -75.12 55.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.9 m -80.39 -77.04 0.2 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.13 -17.04 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.746 0.308 . . . . 0.0 111.271 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.611 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 28.8 t -165.77 158.98 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HE3' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -67.73 -16.85 64.34 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.436 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.2 m -118.13 31.93 6.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.419 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.611 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 7.8 tt0 -159.58 102.39 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.147 0.499 . . . . 0.0 110.508 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -157.77 30.12 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 85.5 mt-30 -82.78 140.97 32.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 37' ' ' LEU . 54.1 tp -82.53 119.21 23.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.093 0.473 . . . . 0.0 111.177 -177.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 50.3 mt-10 -115.82 126.84 54.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.375 173.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.85 150.28 17.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -93.19 104.45 16.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 105' ' ' ILE . 79.3 mt -92.84 -177.59 4.57 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -68.4 -17.29 64.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.094 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -15.66 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 111.203 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.02 -157.94 23.09 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -79.46 135.02 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.852 0.358 . . . . 0.0 110.705 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.54 136.58 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 70.8 mtp -77.04 151.21 35.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.6 132.21 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 0.0 110.365 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.9 135.54 36.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.479 ' HA ' HD11 ' A' ' 128' ' ' LEU . 13.5 m -62.33 -13.53 29.81 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -80.09 -3.3 48.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.989 0.423 . . . . 0.0 111.068 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -67.5 153.98 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 111.396 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 56.02 27.18 10.92 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.21 175.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.62 42.37 98.8 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.817 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -108.23 145.29 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.256 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 p -83.8 163.05 20.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.816 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -79.01 53.55 1.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.198 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -142.34 156.9 45.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.97 108.21 12.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CZ2' HD23 ' A' ' 92' ' ' LEU . 11.6 p90 -69.73 159.14 34.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.07 0.462 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -67.14 -16.03 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -165.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.31 94.02 16.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.203 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.925 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.7 Cg_exo -81.09 -4.94 12.8 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.369 2.713 . . . . 0.0 112.444 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.542 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.1 m -55.17 -24.91 29.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.795 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.29 -16.39 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.13 11.36 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.556 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -57.47 -35.03 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.822 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -68.3 -28.37 67.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.59 -48.37 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 42.9 m -58.15 -40.35 81.16 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.548 177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.43 -48.54 76.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.692 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -75.81 -14.27 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 11.91 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 0.0 110.105 173.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.4 t30 64.98 51.82 1.65 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.679 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.475 ' SG ' ' HE3' ' A' ' 43' ' ' LYS . 95.4 m -143.09 177.94 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.335 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.73 -115.71 4.08 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.161 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.9 m-20 -81.95 152.17 68.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.433 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.542 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.2 Cg_endo -88.99 121.5 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.804 3.002 . . . . 0.0 111.942 177.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 133' ' ' LEU . 93.5 mt -78.46 -42.35 30.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.397 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.2 m -148.15 143.55 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.925 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -143.12 124.55 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.71 -128.96 1.85 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.05 139.8 3.78 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.582 2.188 . . . . 0.0 112.46 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.864 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.1 t80 -133.66 105.82 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.28 164.18 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.68 0.752 . . . . 0.0 111.412 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -125.11 71.65 1.2 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.244 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -78.5 -22.75 46.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.535 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.511 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 97.7 m-85 57.59 67.31 0.99 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.402 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -118.26 65.61 5.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.511 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 8.3 Cg_exo -71.37 -26.64 20.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.989 2.459 . . . . 0.0 112.429 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.83 -14.55 58.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.065 0.46 . . . . 0.0 110.638 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -102.45 -7.88 21.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.133 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.4 p -116.89 168.53 10.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.248 0.547 . . . . 0.0 111.406 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.601 HD13 HD11 ' A' ' 52' ' ' LEU . 24.9 pt -127.77 147.92 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.078 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -105.27 108.52 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.01 155.61 18.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.061 0.457 . . . . 0.0 110.971 -173.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -125.02 -179.55 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.157 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.92 -130.74 10.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.878 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -110.82 148.47 32.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.66 107.82 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.915 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.76 22.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.546 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 t -100.22 114.45 27.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.168 0.509 . . . . 0.0 110.334 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -101.8 42.76 1.11 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.791 0.805 . . . . 0.0 109.0 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.3 m -103.92 14.99 29.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 -174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -170.98 79.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.183 0.516 . . . . 0.0 109.765 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.679 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.0 m -122.49 151.87 40.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.422 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 m -115.03 131.56 56.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.913 0.387 . . . . 0.0 111.231 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -71.78 111.78 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 101' ' ' PRO . 32.5 t -68.18 111.15 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.998 -173.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -96.54 15.27 22.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.95 176.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.432 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 7.6 t-20 -100.69 179.11 4.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.258 -173.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -115.66 49.93 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.154 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.432 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 24.9 ptt? -164.33 137.36 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.028 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 26.6 t 178.18 143.09 0.1 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.262 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -112.96 123.77 51.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 p -65.36 126.87 29.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.149 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 61' ' ' SER . 8.9 tt -74.76 131.25 40.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.864 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -118.64 147.34 18.5 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.803 -176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.762 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.4 tp -132.87 135.08 45.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.8 m -124.91 120.09 30.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.095 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.81 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 14.2 m -118.86 146.4 44.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.448 HD13 HD23 ' A' ' 90' ' ' LEU . 50.3 mt -78.46 147.93 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.127 178.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 134' ' ' GLU . 5.1 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.626 170.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 52' ' ' LEU . 94.6 mt -94.44 111.81 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.944 0.402 . . . . 0.0 110.177 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 29' ' ' TYR . 19.1 m -120.08 155.01 33.81 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 10.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' H ' ' C ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -106.75 -6.1 18.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.583 176.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 12.6 m-20 -78.1 134.64 63.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 19.9 Cg_exo -67.04 -23.16 46.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.081 2.52 . . . . 0.0 112.078 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -101.54 14.96 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.952 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -72.51 108.53 5.63 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 24.2 mt-30 -97.99 117.84 33.23 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.62 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.16 155.54 42.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.658 ' NH1' HH21 ' A' ' 39' ' ' ARG . 10.4 ptp180 -150.15 152.62 34.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.963 0.411 . . . . 0.0 110.438 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 44' ' ' CYS . 90.6 mt -97.26 139.92 32.52 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.2 p -57.83 140.42 51.83 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.342 0.401 . . . . 0.0 110.796 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.696 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -79.64 63.07 4.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.108 -175.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.2 t -61.62 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -138.62 -54.61 0.61 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.4 m -91.82 124.85 36.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.466 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -69.14 -15.19 63.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.904 0.383 . . . . 0.0 111.053 -174.123 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.756 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 0.5 OUTLIER -109.53 28.72 8.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 tt0 -154.55 97.46 2.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.103 174.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.36 -167.71 34.2 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -73.58 143.62 46.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 tp -89.67 116.04 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.97 0.414 . . . . 0.0 111.396 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.44 127.34 56.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.259 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.24 151.33 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.41 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 80.7 t80 -94.67 105.33 17.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.913 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 4.7 mp -93.41 -179.38 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -62.63 -32.47 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.412 0.625 . . . . 0.0 109.637 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.34 -38.61 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.283 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.63 -164.15 29.07 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.292 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.85 128.59 35.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.76 0.28 . . . . 0.0 110.665 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -143.52 152.81 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.501 ' HE2' HG22 ' A' ' 98' ' ' THR . 80.2 mtp -87.71 130.87 34.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.668 -176.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.6 t -87.95 129.89 38.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.89 0.376 . . . . 0.0 110.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -98.15 146.2 25.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 p -73.01 -16.01 61.52 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 53.3 tp60 -83.38 53.94 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -118.32 149.88 40.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.535 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 58.69 21.63 9.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.214 0.606 . . . . 0.0 112.358 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.74 71.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.807 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 10.5 mmt180 -78.51 151.06 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.268 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -95.13 161.41 14.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.71 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -75.01 57.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.233 0.54 . . . . 0.0 111.25 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.63 160.61 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 92.78 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.763 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.454 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 31.9 p90 -70.37 155.71 40.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -85.69 36.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.544 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 18.3 m-20 -136.54 62.41 42.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.735 0.303 . . . . 0.0 110.996 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.521 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 1.2 Cg_endo -83.94 -23.44 3.12 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.722 2.281 . . . . 0.0 112.695 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.0 m -59.24 -20.53 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.08 -15.33 62.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.694 0.283 . . . . 0.0 111.321 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.94 12.2 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.353 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -57.39 -31.03 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.901 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.5 mmpt? -62.08 -42.66 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.082 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.58 -43.7 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.7 m -59.01 -41.98 89.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.251 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -67.5 -33.96 76.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 45.4 mmt-85 -60.93 -30.64 70.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.133 0.492 . . . . 0.0 110.246 176.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.25 11.8 29.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.254 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 62.49 41.02 10.2 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.3 0.572 . . . . 0.0 111.04 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.7 m -113.95 170.73 8.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.298 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.16 -133.77 5.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.265 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 13.8 m-20 -68.67 152.27 96.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.398 -178.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 1.5 Cg_endo -80.24 117.79 3.54 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.12 2.546 . . . . 0.0 111.427 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.71 -47.62 16.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.611 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -138.08 143.33 40.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.539 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.667 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.45 -132.9 1.94 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.08 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.61 141.03 8.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.361 2.04 . . . . 0.0 112.181 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 1.042 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 53.5 t80 -120.12 83.92 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt 63.18 -167.78 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.414 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -112.86 115.5 28.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.08 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.501 HG22 ' HE2' ' A' ' 58' ' ' MET . 14.2 m -96.94 -45.52 6.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.433 -173.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 55.13 84.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.484 0.49 . . . . 0.0 111.076 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 102' ' ' GLN . 28.9 m -153.06 78.28 5.97 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -74.17 33.41 0.35 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.046 2.497 . . . . 0.0 112.904 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 100' ' ' THR . 2.7 mp0 -111.17 -37.35 5.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.161 176.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 m -117.03 -15.55 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.067 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.476 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 14.5 p -73.12 134.39 44.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.35 . . . . 0.0 111.741 -175.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.4 pt -135.31 160.8 40.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.156 0.503 . . . . 0.0 111.103 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.9 mt -125.78 131.47 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.897 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.5 t -108.21 155.24 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.979 -173.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.03 172.5 10.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.689 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.1 -83.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.327 -0.939 . . . . 0.0 113.171 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -154.85 140.41 17.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.589 0.233 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.97 108.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.257 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.5 -9.63 24.1 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.64 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 t -107.71 109.88 21.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.138 0.494 . . . . 0.0 110.39 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -93.15 48.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.2 p -85.53 -31.2 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.672 -176.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.4 93.77 2.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.115 0.483 . . . . 0.0 110.447 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.6 m -119.14 144.28 46.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.668 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.8 m -125.97 151.94 46.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.215 0.531 . . . . 0.0 111.022 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -89.08 100.37 13.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.539 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 t -81.01 109.42 15.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -80.41 65.92 5.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.414 0.626 . . . . 0.0 110.14 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.58 137.58 13.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.333 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.81 39.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -173.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.0 ptp -92.73 2.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.417 0.627 . . . . 0.0 109.409 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.0 t -109.28 146.15 34.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.998 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -101.01 134.77 43.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.187 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -57.68 141.8 47.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.73 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.6 tt -75.06 125.55 29.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.843 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 1.042 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.33 129.13 7.91 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.667 HD13 ' HG ' ' A' ' 92' ' ' LEU . 43.5 tp -110.64 130.56 55.54 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.3 m -116.29 108.27 15.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.065 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.756 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.1 m -114.77 155.11 27.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.439 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.59 90.78 0.57 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.218 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 6.0 pt-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.253 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.977 0.417 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.19 146.74 33.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 29' ' ' TYR . 15.4 m -149.65 155.32 40.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.52 23.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.299 0.571 . . . . 0.0 110.469 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HA ' ' HG3' ' A' ' 79' ' ' LYS . 2.4 t80 -103.78 -19.43 14.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.8 135.19 43.13 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.046 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.93 -20.81 33.54 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.865 2.376 . . . . 0.0 112.373 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.66 4.58 53.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.456 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.83 112.87 20.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.6 mm-40 -77.66 110.14 12.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.42 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.327 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -153.8 160.03 42.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.408 . . . . 0.0 110.483 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' H ' HD22 ' A' ' 84' ' ' LEU . 96.4 mt -100.06 133.56 44.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 168.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -70.13 165.92 20.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -62.38 -74.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.15 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t 60.39 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.524 0.515 . . . . 0.0 111.562 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -128.97 -50.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.384 0.611 . . . . 0.0 109.565 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -135.51 139.5 44.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.8 -15.99 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.123 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.727 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 60.7 m -104.86 18.64 21.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 0.0 110.083 173.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.522 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 6.9 tt0 -156.46 81.54 0.97 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.73 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.83 -155.93 7.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.012 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -91.3 138.65 31.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 tp -81.89 114.33 20.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -107.58 134.28 50.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.1 m -127.89 152.86 36.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.5 t80 -91.86 114.36 26.87 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.204 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.1 mt -117.16 -160.18 0.76 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.49 -30.93 70.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.501 0.191 . . . . 0.0 111.4 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -98.97 11.72 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.64 -159.4 15.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.759 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' A' ' 34' ' ' GLN . 85.7 m95 -83.43 117.36 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.605 0.238 . . . . 0.0 110.627 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -140.43 153.72 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.139 0.495 . . . . 0.0 111.466 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 104' ' ' SER . 70.5 mtp -76.46 131.25 38.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.191 -175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.77 133.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.492 ' HB3' HG12 ' A' ' 106' ' ' ILE . 8.4 t -93.14 141.91 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.1 p -74.05 -1.67 21.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -89.9 15.58 9.66 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.692 0.758 . . . . 0.0 110.355 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -75.9 153.57 36.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 61.36 25.37 15.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.677 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.5 24.74 69.6 Favored Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.376 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -91.81 161.09 15.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.923 0.392 . . . . 0.0 110.287 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 p -77.09 145.75 37.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.996 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -75.58 55.48 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.697 0.761 . . . . 0.0 110.266 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 8.2 mmpt? -142.65 175.59 9.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.603 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -94.45 118.15 31.2 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.96 174.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -83.57 -168.65 2.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.1 -49.6 75.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -172.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -115.83 103.33 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 0.0 111.069 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -91.02 2.06 4.71 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.795 2.33 . . . . 0.0 112.186 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 24.6 m -92.47 5.65 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.946 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.03 -8.51 53.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.186 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.71 24.67 7.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.603 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.6 p -54.9 -42.76 72.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.215 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG3' ' HA ' ' A' ' 29' ' ' TYR . 71.8 mmtt -58.55 -35.07 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.815 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.97 -51.37 50.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m -58.45 -41.26 84.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.465 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -62.09 -46.5 88.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.339 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -73.49 -12.12 60.68 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.592 HD22 ' H ' ' A' ' 37' ' ' LEU . 9.9 mp -98.87 6.44 46.81 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 174.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 63.29 36.61 11.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.19 164.23 12.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.9 -170.47 40.77 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.595 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 m-20 -57.17 148.4 52.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 122.935 0.494 . . . . 0.0 111.509 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 9.1 Cg_exo -71.38 113.19 3.53 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.049 2.499 . . . . 0.0 112.171 178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -85.61 -39.2 17.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.862 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.429 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 43.4 m -143.87 157.71 44.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 130' ' ' LEU . 22.3 tp -153.87 172.29 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.494 ' N ' ' HG ' ' A' ' 92' ' ' LEU . . . 117.21 -128.75 8.01 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.457 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -85.8 132.5 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.625 2.216 . . . . 0.0 112.66 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.913 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 37.4 t80 -127.18 100.76 6.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 90.2 mt 75.09 165.57 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.997 0.811 . . . . 0.0 111.239 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' HG2' ' HD1' ' A' ' 99' ' ' TYR . 40.0 ttmt -103.28 81.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -57.98 -58.56 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.663 -171.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.563 ' HA ' ' O ' ' A' ' 123' ' ' ASP . 5.3 m-85 52.75 52.86 13.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.272 0.558 . . . . 0.0 110.679 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -143.06 87.99 8.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.16 -31.21 30.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.52 2.147 . . . . 0.0 112.426 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.486 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 50.4 tp60 -82.53 40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.53 0.681 . . . . 0.0 110.718 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 m -162.61 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.067 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.1 p -99.3 150.02 22.54 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.299 0.571 . . . . 0.0 111.707 -174.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.02 147.88 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.263 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.492 HG12 ' HB3' ' A' ' 60' ' ' CYS . 70.7 mt -118.06 120.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.929 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.9 m -95.23 152.69 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -129.47 160.34 33.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.378 176.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.81 -143.53 16.37 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.694 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.72 148.56 22.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -52.87 113.41 1.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.565 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.28 -10.78 47.31 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.467 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t -89.77 107.63 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.0 110.423 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.14 35.2 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.906 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 m -80.59 -35.05 34.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.236 -175.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -126.59 100.15 6.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 38.8 m -124.18 136.3 54.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.0 m -114.53 145.69 41.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.009 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.0 t-80 -72.16 126.62 30.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -67.49 128.78 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.034 0.445 . . . . 0.0 110.94 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 6.8 tpt180 -106.39 6.44 30.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.715 0.769 . . . . 0.0 109.453 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -112.71 131.51 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.459 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.563 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.2 p30 -69.1 -28.97 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.818 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -75.72 73.59 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.305 0.574 . . . . 0.0 110.597 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.03 127.3 30.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.32 121.67 43.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.236 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.1 m -59.48 142.75 51.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.547 HD21 HD11 ' A' ' 92' ' ' LEU . 9.2 tt -73.96 120.09 19.07 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.591 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.913 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.71 149.79 16.79 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.794 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 92' ' ' LEU . 59.4 tp -133.16 121.7 22.95 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.429 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 27.2 m -108.02 96.61 6.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 4.9 m -94.07 146.53 23.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.06 98.31 0.07 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.727 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 28.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.931 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.848 0.356 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.81 82.21 1.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 29' ' ' TYR . 42.8 m -148.56 159.03 44.47 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 25.46 0.1 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.529 0.681 . . . . 0.0 110.646 177.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.54 ' H ' ' C ' ' A' ' 27' ' ' SER . 85.5 t80 -113.66 -12.39 12.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.076 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.38 137.87 23.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 -13.75 35.58 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.044 2.496 . . . . 0.0 113.436 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -104.18 10.42 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 111.249 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -92.19 138.14 31.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.777 0.322 . . . . 0.0 110.162 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 7.1 mm100 -118.04 136.03 53.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 111.638 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 154.48 42.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.828 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -151.02 160.28 44.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 110.641 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 44' ' ' CYS . 91.1 mt -109.67 144.45 38.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 p -72.14 159.72 33.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.136 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.79 -56.95 12.95 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.13 0.269 . . . . 0.0 110.67 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t 50.4 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.081 0.863 . . . . 0.0 112.206 172.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -125.64 -47.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.787 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 14.5 m -126.7 147.5 49.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -72.53 -10.36 59.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.595 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 93.9 m -113.01 29.23 8.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.4 168.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.787 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 52.2 tt0 -153.52 88.91 1.3 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.246 0.546 . . . . 0.0 110.043 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.44 -162.22 21.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.974 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -80.71 141.53 34.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.5 tp -85.47 117.12 24.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.671 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -111.07 131.86 54.73 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.75 153.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -97.07 109.07 21.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.616 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -114.21 -172.42 2.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.55 -32.96 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 111.17 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.61 -9.46 58.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.498 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.51 -170.65 18.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.581 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.436 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 96.9 m95 -68.01 125.97 28.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.061 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -142.13 150.87 41.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.4 mtp -79.84 142.45 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.94 137.36 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.85 141.8 28.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.727 ' HA ' HD12 ' A' ' 128' ' ' LEU . 15.8 p -65.01 -23.18 67.13 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -170.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.23 54.92 2.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.327 0.584 . . . . 0.0 110.037 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.6 m -112.53 158.45 19.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.769 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 65.94 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.152 0.908 . . . . 0.0 111.777 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.02 39.75 0.38 Allowed Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.577 HH22 HD22 ' A' ' 111' ' ' LEU . 23.4 mmt85 -125.13 158.8 32.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -129.31 -152.23 0.51 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -83.65 -12.53 55.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 110.694 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.831 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 10.7 mmpt? -81.69 131.85 35.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.25 118.06 12.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.744 ' HZ2' HD23 ' A' ' 92' ' ' LEU . 16.4 p90 -73.45 169.15 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -60.27 -55.94 27.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.486 -170.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -121.13 103.31 42.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.727 -175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -87.33 2.17 6.9 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.658 2.905 . . . . 0.0 112.254 176.623 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.818 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 m -73.09 -4.64 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -170.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -68.95 -12.31 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.167 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.49 12.75 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 p -57.64 -33.7 68.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.324 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.89 -40.11 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.438 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.53 -47.52 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -61.45 -40.02 92.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.802 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.601 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 2.4 mmp_? -68.83 -22.7 64.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.748 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.09 9.17 42.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.383 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 61.08 36.81 18.2 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.063 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.0 m -115.84 168.73 9.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.883 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.34 -150.86 10.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.53 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.42 156.86 59.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.818 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 3.8 Cg_exo -76.81 114.19 3.79 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.945 2.43 . . . . 0.0 111.506 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.24 -40.95 67.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.65 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -155.42 152.06 28.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.909 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.81 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.2 tt -148.9 126.46 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.81 -157.48 29.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.102 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.03 120.63 7.81 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.569 2.179 . . . . 0.0 111.965 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.44 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 44.4 t80 -134.58 118.66 17.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.9 mt 71.12 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.796 0.808 . . . . 0.0 111.5 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.0 mttt -86.38 65.22 8.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.229 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -74.28 -43.76 55.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 38.1 m-85 53.04 66.43 1.23 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.36 0.6 . . . . 0.0 111.697 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -123.5 80.32 54.2 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.165 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.549 ' HB2' ' O ' ' A' ' 120' ' ' SER . 50.1 Cg_endo -68.26 -10.98 30.61 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.99 2.46 . . . . 0.0 113.413 -171.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -79.1 -16.64 56.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.428 0.632 . . . . 0.0 109.73 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 m -111.08 -32.61 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.993 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.8 p -91.78 120.69 32.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.562 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.7 pt -105.5 149.72 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -108.41 123.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.9 m -99.66 144.58 28.57 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -115.25 146.25 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.94 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.73 -153.02 16.89 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.652 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.42 147.02 42.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.577 HD22 HH22 ' A' ' 66' ' ' ARG . 47.5 tp -54.27 109.2 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.118 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.38 -13.32 25.75 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.242 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -88.51 119.24 28.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 111.003 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.4 ' HD1' ' SG ' ' A' ' 107' ' ' CYS . 94.4 m-85 -106.65 25.83 10.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.338 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -64.69 -40.77 95.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.582 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -127.79 93.41 3.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.236 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 32.8 m -114.4 139.08 49.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.345 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -114.23 145.42 41.74 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.358 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.43 122.11 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 46.6 t -69.39 128.72 37.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -107.32 32.82 4.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.91 0.862 . . . . 0.0 109.08 173.327 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -134.22 135.16 42.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.274 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -85.04 17.15 3.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.768 0.318 . . . . 0.0 111.708 -172.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mtp -106.49 22.92 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.316 0.579 . . . . 0.0 110.3 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 106.04 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.563 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -77.87 127.02 31.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.898 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -58.46 135.93 57.38 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.239 0.337 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.9 tt -89.25 124.09 34.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.957 0.408 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.44 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -113.79 143.04 17.8 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.81 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.0 tp -127.63 118.65 24.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 69.3 m -105.87 110.09 22.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.266 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.672 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.7 m -99.67 153.06 19.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.45 93.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.084 0.469 . . . . 0.0 109.846 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.522 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 33.3 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.072 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.712 ' HA ' ' OG ' ' A' ' 115' ' ' SER . 3.4 ppt_? . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.928 0.394 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.39 93.51 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.982 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 29' ' ' TYR . 5.1 m -84.95 135.8 33.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.81 -177.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 23.59 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.153 0.501 . . . . 0.0 111.69 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 27' ' ' SER . 83.0 m-85 -108.88 -17.46 13.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 174.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 11.6 m-20 -66.92 138.64 95.24 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 -178.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 24.2 Cg_exo -62.09 -25.01 77.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.331 2.687 . . . . 0.0 112.786 -176.224 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -90.66 -3.57 57.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.355 -177.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -74.04 136.42 43.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -113.55 120.44 40.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -174.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -145.59 157.91 43.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -149.6 167.47 26.26 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 130' ' ' LEU . 90.1 mt -113.07 133.4 55.01 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -63.25 152.65 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.147 -177.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.844 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -71.74 70.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.511 0.672 . . . . 0.0 110.962 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.65 -22.58 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.58 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -174.93 -36.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 109.43 -178.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.638 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 35.8 t -153.47 159.06 42.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.546 177.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.92 16.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.841 0.353 . . . . 0.0 110.686 -178.594 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 15.2 t -129.67 6.44 5.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.445 0.64 . . . . 0.0 109.839 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.638 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 3.7 pt20 -153.78 118.29 4.92 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.458 178.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.09 -154.93 25.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.373 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -83.14 140.49 32.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 tp -81.81 118.63 23.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.889 0.376 . . . . 0.0 111.058 -178.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.97 133.11 55.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.625 172.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.97 148.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.012 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -88.18 106.07 17.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 -178.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.1 mt -89.21 174.0 8.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -53.71 -36.12 61.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.199 0.454 . . . . 0.0 111.272 -176.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 8.5 m-20 -65.9 -62.32 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.551 176.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.49 -160.17 27.56 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.045 -177.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.433 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -74.38 123.83 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 110.752 -177.017 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.9 m80 -125.33 140.46 52.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.646 -178.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.667 ' HE3' ' HB ' ' A' ' 98' ' ' THR . 74.3 mtp -79.68 133.15 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.551 -178.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.87 127.89 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.8 140.4 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 1.17 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -97.91 38.13 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 109.648 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.9 m -107.69 149.5 28.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.526 -176.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 58.3 -106.36 0.3 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.521 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.6 17.2 13.88 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.703 ' HD3' ' HD1' ' A' ' 71' ' ' TRP . 20.9 mmt180 -99.8 152.42 20.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.039 0.447 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 69' ' ' LYS . 34.7 t -136.3 -159.05 0.92 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -178.765 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.2 m -80.07 39.66 0.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.443 0.639 . . . . 0.0 110.81 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 67' ' ' SER . 13.5 ptmm? -153.95 150.61 28.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.355 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -91.07 134.96 34.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.237 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.703 ' HD1' ' HD3' ' A' ' 66' ' ' ARG . 94.2 m95 -94.87 175.52 6.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -76.65 6.0 6.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -119.76 77.52 21.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.088 0.47 . . . . 0.0 111.454 -179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -87.42 -24.43 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.163 1.909 . . . . 0.0 113.521 -177.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.904 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.2 m -81.96 13.52 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.03 -15.96 62.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 111.276 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -100.28 22.81 10.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.849 0.357 . . . . 0.0 110.959 -178.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.694 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 11.7 p -56.11 -47.13 78.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.82 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -60.73 -32.7 71.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.095 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.14 -48.03 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.315 177.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.39 -40.53 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.522 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.94 -38.32 90.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.996 0.427 . . . . 0.0 110.273 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -30.75 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.628 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.87 6.93 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.418 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 64.7 33.92 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.612 -178.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.39 -171.05 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -144.45 13.46 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.48 173.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -87.82 154.32 52.84 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.809 0.338 . . . . 0.0 110.461 178.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.904 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 71.2 Cg_endo -77.24 135.56 15.24 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.091 2.527 . . . . 0.0 113.37 -175.166 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.39 -44.46 10.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.097 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t -144.92 149.36 35.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.439 -176.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 130' ' ' LEU . 64.2 tp -153.46 108.72 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 -179.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.1 -155.1 16.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.226 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.24 67.39 5.23 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.21 2.607 . . . . 0.0 111.741 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.863 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 87.2 t80 -71.88 -40.75 68.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.933 -173.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 21.4 tp -145.14 171.54 14.37 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.689 -175.333 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 43.3 mtmt -132.65 99.26 4.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.667 ' HB ' ' HE3' ' A' ' 58' ' ' MET . 11.3 m -78.05 -19.04 55.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.477 0.656 . . . . 0.0 109.887 176.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.98 34.37 19.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.305 172.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.7 m -104.66 99.79 20.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.085 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -87.48 55.22 2.82 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.905 2.403 . . . . 0.0 112.564 -178.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.622 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -137.69 -73.15 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.701 179.725 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 t -88.16 12.07 14.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.43 . . . . 0.0 110.849 -178.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.0 p -90.87 143.17 26.99 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.33 140.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.554 0.692 . . . . 0.0 111.652 -177.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 120' ' ' SER . 49.8 mt -107.23 115.78 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.46 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.47 149.5 26.13 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.397 -174.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.44 162.8 17.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.179 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.93 -153.53 17.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.328 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.32 139.35 31.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -52.6 111.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.018 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.48 -14.29 18.02 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -98.37 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.326 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -87.18 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.321 0.582 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.712 ' OG ' ' HA ' ' A' ' 25' ' ' ARG . 21.0 m -82.64 -68.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.869 -178.588 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -106.21 96.62 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.647 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.8 m -116.48 133.33 56.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m -112.57 139.94 47.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.59 0.233 . . . . 0.0 110.93 -176.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -61.3 133.37 55.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.444 ' HB2' HG13 ' A' ' 106' ' ' ILE . 39.3 t -87.93 117.75 27.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.296 0.569 . . . . 0.0 111.214 -175.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -90.75 -4.87 56.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.487 173.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.49 122.11 21.65 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.29 -34.98 73.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.587 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.77 40.7 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.731 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 t -76.74 111.68 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -74.15 119.24 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -76.16 134.6 39.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -174.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.76 115.8 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.018 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.863 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.88 129.99 9.96 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.015 -178.427 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 92' ' ' LEU . 65.0 tp -118.53 132.06 56.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.9 m -119.57 110.72 17.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 27.5 m -103.5 149.23 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.732 0.301 . . . . 0.0 110.312 -179.399 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.9 136.38 56.79 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 177.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.377 -0.82 . . . . 0.0 109.112 175.056 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt -138.48 74.7 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.735 170.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -125.09 161.11 27.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.789 -178.134 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.678 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -73.8 15.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.717 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.678 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 5.2 m-85 -119.94 8.83 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.419 174.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 26.3 m-20 -86.31 137.4 34.73 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.233 176.652 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.6 Cg_exo -59.12 -23.87 71.07 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.605 2.87 . . . . 0.0 114.047 -170.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -119.33 22.79 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.574 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -79.2 113.7 17.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.64 139.42 38.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.178 0.513 . . . . 0.0 111.119 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -146.21 157.44 43.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.364 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -154.86 166.85 32.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 110.064 178.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 130' ' ' LEU . 63.8 mt -114.36 119.59 37.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.849 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 12.5 p -59.94 126.81 28.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -44.22 -70.3 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 124.078 0.861 . . . . 0.0 112.48 -167.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t 66.66 -60.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.339 0.399 . . . . 0.0 110.817 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -127.49 -49.71 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.899 0.381 . . . . 0.0 109.991 176.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -143.96 174.1 11.14 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.727 -177.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -30.82 62.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.681 0.276 . . . . 0.0 111.054 -174.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 84.5 m -107.98 22.12 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.456 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -150.28 93.75 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.243 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.506 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . -170.29 -161.11 20.25 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.211 -177.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 69.1 mt-30 -90.65 132.17 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.887 0.375 . . . . 0.0 110.226 -176.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.53 127.93 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.296 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.39 134.94 54.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.615 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.58 151.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.138 177.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -92.05 106.33 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.709 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.757 HD11 HD12 ' A' ' 105' ' ' ILE . 78.9 mt -96.06 -173.47 2.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.71 177.426 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 37.1 ttmt -58.46 -47.27 84.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.334 . . . . 0.0 110.433 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 4.4 m-20 -65.9 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.902 178.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.61 -160.67 26.11 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.486 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.3 m95 -65.44 127.98 34.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.44 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.8 m80 -137.83 146.41 43.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.26 178.765 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.7 mtp -80.36 152.97 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 -177.313 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -102.15 130.59 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.403 177.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.16 139.45 33.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.815 ' HB2' ' HD2' ' A' ' 126' ' ' HIS . 6.5 m -70.44 -4.02 20.52 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -79.84 8.75 6.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.112 0.482 . . . . 0.0 110.177 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -83.83 153.47 24.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.987 -174.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 54.9 33.29 19.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.516 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.52 30.4 68.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.11 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -109.17 172.48 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -139.49 -144.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.093 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 40.6 m -76.22 -6.78 52.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.62 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -96.38 134.18 39.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -73.45 145.84 45.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.357 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.621 ' CZ2' HD21 ' A' ' 92' ' ' LEU . 25.4 p90 -87.39 159.78 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 110.282 176.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -73.98 -25.7 60.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.986 -164.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -119.21 94.13 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.238 -176.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.588 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 4.7 Cg_exo -76.8 -13.67 17.68 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.927 2.418 . . . . 0.0 112.465 177.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.524 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.6 p -72.17 2.62 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -175.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.96 -14.08 61.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.076 0.465 . . . . 0.0 110.176 172.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 21.11 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.685 -177.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.404 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.9 m -60.66 -32.89 72.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.707 0.289 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.568 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 72.3 mmtt -64.15 -32.4 73.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 177.274 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.97 -51.75 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.0 m -58.94 -36.7 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.476 178.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.14 -36.33 83.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 178.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 30.1 mmm180 -65.48 -26.75 68.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.515 178.202 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.19 4.19 53.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.972 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.66 32.53 18.42 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.582 -178.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.6 m -98.83 178.55 4.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.95 -162.28 32.04 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.001 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.06 154.6 86.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.606 0.241 . . . . 0.0 110.913 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.8 Cg_exo -74.51 117.07 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.653 2.235 . . . . 0.0 111.652 178.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tt -81.5 -43.82 18.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.5 -178.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.444 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 12.2 p -146.04 148.5 32.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.887 -177.116 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.883 ' HG ' HD11 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -147.14 89.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -178.654 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.73 -169.59 25.26 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.761 -177.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.429 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 24.5 Cg_exo -64.04 135.46 47.64 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.407 2.071 . . . . 0.0 112.205 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.597 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 68.5 t80 -127.5 91.9 3.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.802 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.9 mt 62.83 -171.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.156 178.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -133.89 100.59 4.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.041 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 m -79.06 -13.89 59.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.269 -179.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.448 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 74.5 m-85 63.18 58.71 1.38 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.511 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 p -117.57 73.63 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.834 0.349 . . . . 0.0 111.004 177.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.822 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . 1.8 Cg_endo -81.42 51.51 3.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.438 2.758 . . . . 0.0 112.484 -174.461 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -163.89 -49.97 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -31.42 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.658 177.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.0 p -86.33 142.1 28.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.896 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.757 HD12 HD11 ' A' ' 52' ' ' LEU . 32.6 pt -115.44 155.5 16.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.82 178.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.4 mt -123.15 113.78 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.19 176.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 59.7 m -93.26 154.65 17.89 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.0 156.42 38.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.76 -116.23 5.17 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.588 175.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -89.8 128.56 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.532 0.333 . . . . 0.0 111.69 -170.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.56 115.13 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.008 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.96 -14.74 28.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.6 t -92.01 112.08 23.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.902 0.382 . . . . 0.0 110.25 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.467 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.8 m-85 -100.4 24.51 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.225 178.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.4 p -80.25 -33.57 37.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -178.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.48 83.09 1.95 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.165 0.507 . . . . 0.0 109.831 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.0 m -124.99 143.19 51.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.351 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 t -120.29 152.6 37.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.445 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -67.05 141.89 57.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.9 t -61.97 97.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.905 -176.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -66.65 -31.71 72.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.471 0.653 . . . . 0.0 109.689 177.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -79.47 124.3 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.711 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.822 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 7.0 p-10 -77.23 -15.02 59.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 -178.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 87.0 mtp -88.06 57.9 4.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.172 0.51 . . . . 0.0 110.025 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.4 t -91.75 118.28 30.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.815 ' HD2' ' HB2' ' A' ' 61' ' ' SER . 3.1 p-80 -85.4 122.03 28.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.367 170.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 147.72 51.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.64 -173.749 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 92' ' ' LEU . 9.9 tt -93.72 129.57 40.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.642 -178.371 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.54 129.77 8.61 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.308 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.883 HD11 ' HG ' ' A' ' 92' ' ' LEU . 60.8 tp -113.15 131.27 55.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.22 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.444 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 97.6 m -120.26 109.78 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.848 0.356 . . . . 0.0 110.635 179.025 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 9.0 m -102.3 144.34 30.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.32 101.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 174.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.817 0.342 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -135.72 119.93 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.611 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 16.9 p -149.76 155.63 40.47 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.516 -177.364 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.26 7.66 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.204 0.526 . . . . 0.0 110.55 176.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.611 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 97.2 m-85 -86.93 -15.37 39.12 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.674 175.283 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 21.1 m-20 -79.1 124.44 84.59 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.283 177.312 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.53 -23.75 74.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.993 2.462 . . . . 0.0 113.143 -172.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -112.04 15.81 20.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.217 -178.015 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.429 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 66.5 t80 -56.92 128.91 39.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.473 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.6 mm100 -83.45 99.7 10.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.027 0.441 . . . . 0.0 111.189 -174.479 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.09 150.36 45.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.079 177.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -145.77 145.84 30.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.419 -179.017 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -99.93 131.42 45.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -62.33 137.05 58.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 56.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.369 0.604 . . . . 0.0 110.954 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -72.15 -57.0 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.536 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -108.34 -35.78 6.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.521 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.435 ' HG ' ' CD ' ' A' ' 134' ' ' GLU . 7.6 t -163.14 -179.83 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.01 -34.94 73.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.782 -178.126 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.4 m -104.8 29.41 6.27 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.154 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -153.51 107.75 3.07 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 111.213 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.48 -158.36 26.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.636 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -81.47 145.16 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -85.37 111.74 20.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -178.094 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 49.0 mt-10 -106.8 126.39 52.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.89 152.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.204 -179.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 84.4 t80 -89.47 98.04 11.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.1 tp -88.61 -175.75 5.04 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 10.4 mtmp? -68.59 -19.74 64.47 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.145 -177.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' OD1' HD23 ' A' ' 52' ' ' LEU . 5.1 p-10 -93.59 -7.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.15 -169.53 15.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.736 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.24 124.05 23.19 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.978 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -148.11 157.58 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 177.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.9 mtp -83.48 137.95 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.42 133.02 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 38.1 t -92.84 143.99 25.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.145 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -66.24 -15.1 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.518 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' HB2' HD13 ' A' ' 106' ' ' ILE . 10.5 mm100 -76.13 -5.25 45.82 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.748 178.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -60.79 150.69 31.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -175.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 64.51 19.21 11.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.801 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.64 54.97 16.3 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.377 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -128.98 153.62 47.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 p -88.5 155.61 19.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.784 175.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.492 ' HB3' ' HB3' ' A' ' 94' ' ' PRO . 18.6 m -78.52 76.28 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.034 0.445 . . . . 0.0 111.345 -176.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -130.58 143.74 50.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.0 121.99 18.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -78.19 167.49 21.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.409 -174.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -66.89 -46.73 73.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.867 -177.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.51 103.12 16.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.409 -177.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.33 2.92 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 123.225 2.617 . . . . 0.0 112.394 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.54 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -64.37 -13.49 51.01 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -15.72 63.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 0.0 110.064 177.011 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.77 14.66 27.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 p -57.72 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.351 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.58 -33.55 75.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.334 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.13 -47.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.863 177.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.5 m -62.01 -41.24 97.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.052 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.25 -34.95 79.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.92 -37.35 86.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.926 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -91.6 6.5 45.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 m120 60.09 45.7 11.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.47 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 -172.23 2.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.59 -134.18 6.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.514 178.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.89 150.48 69.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.798 0.332 . . . . 0.0 111.146 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 56.8 Cg_endo -78.44 101.73 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.85 2.367 . . . . 0.0 111.487 175.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 HD23 ' A' ' 133' ' ' LEU . 1.9 tt -66.1 -47.08 75.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.378 -174.566 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m -151.32 142.75 23.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -176.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 130' ' ' LEU . 10.4 tt -134.61 141.8 46.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.058 177.335 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.51 -139.62 7.0 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' A' ' 68' ' ' SER . 93.9 Cg_endo -83.17 120.23 2.91 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.481 2.12 . . . . 0.0 112.107 179.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.991 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 20.2 t80 -106.4 82.61 1.76 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.115 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt 65.77 178.99 0.2 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.901 -179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 93.18 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -79.47 -10.89 59.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.737 -175.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.592 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 4.0 m-85 59.47 67.47 0.89 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.407 ' N ' ' HD3' ' A' ' 101' ' ' PRO . 1.4 p -121.5 58.68 8.51 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.385 -179.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.592 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 1.8 Cg_endo -81.01 18.73 1.25 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.256 2.637 . . . . 0.0 111.853 -174.149 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -123.77 14.67 9.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.853 0.835 . . . . 0.0 108.805 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -145.85 -30.02 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 56.9 p -72.02 130.85 41.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.946 0.403 . . . . 0.0 111.436 -178.241 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.3 pt -114.54 154.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.506 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 62' ' ' GLN . 8.6 mt -122.21 123.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.695 177.108 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 55.2 m -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.16 145.34 46.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.8 11.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.748 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -85.0 146.34 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.955 -175.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.03 111.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 178.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.33 -11.31 26.33 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.354 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.8 t -93.88 116.55 29.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.411 0.624 . . . . 0.0 110.835 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -102.89 22.08 14.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 m -69.73 -20.54 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.518 -174.066 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -148.87 103.13 3.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.963 0.411 . . . . 0.0 110.184 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 35.0 m -123.96 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.378 -177.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.3 m -125.25 144.05 50.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.871 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.59 130.33 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 t -94.65 133.85 37.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -172.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -108.78 48.12 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' A' ' 125' ' ' CYS . 6.9 t30 -113.13 112.61 24.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.949 -178.24 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.85 -39.98 87.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.847 -173.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 88.2 mtp -97.41 37.27 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -73.38 106.27 5.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.744 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.78 118.92 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.453 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 128.69 37.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 tt -76.18 125.25 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.991 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.91 139.45 13.91 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.176 -178.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.698 HD11 HD13 ' A' ' 92' ' ' LEU . 53.1 tp -124.03 126.05 45.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.1 m -107.31 104.62 14.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.231 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.715 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 34.0 m -100.13 140.86 33.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.448 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.434 HD23 HD12 ' A' ' 90' ' ' LEU . 94.9 mt -67.35 146.34 54.18 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.435 ' CD ' ' HG ' ' A' ' 42' ' ' SER . 25.6 mt-10 . . . . . 0 C--N 1.316 -0.857 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.193 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -130.35 105.61 8.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' TYR . 48.9 m -120.34 161.55 20.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.117 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.491 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -76.75 21.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.41 0.624 . . . . 0.0 110.759 175.839 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 3.1 m-85 -110.81 -11.34 14.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 174.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.41 136.33 60.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.28 -179.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.96 -3.86 14.55 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.94 2.427 . . . . 0.0 112.107 -176.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.41 4.96 26.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.013 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -77.96 103.73 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 9.8 mm-40 -91.76 129.45 37.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.494 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 149.1 31.79 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 178.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 84' ' ' LEU . 35.8 ptt180 -144.28 159.66 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.201 0.524 . . . . 0.0 110.097 -179.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.5 mt -97.85 120.66 38.63 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 172.113 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -52.98 154.35 2.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.806 0.691 . . . . 0.0 111.523 -173.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.665 ' NH1' ' HZ1' ' A' ' 43' ' ' LYS . 16.7 mmm180 -42.61 -64.2 0.65 Allowed 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.238 0.961 . . . . 0.0 110.545 -177.224 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 t 50.25 -91.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.979 0.8 . . . . 0.0 112.231 173.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.99 -42.32 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.344 0.592 . . . . 0.0 109.409 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -153.36 141.08 20.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.665 ' HZ1' ' NH1' ' A' ' 39' ' ' ARG . 53.0 mtmt -84.87 12.55 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -169.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.427 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 29.3 t -112.07 3.16 17.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.762 0.792 . . . . 0.0 109.192 171.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -155.39 87.15 1.1 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.039 175.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.4 -158.51 8.97 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.36 -174.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -79.98 134.52 36.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.123 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -72.61 107.38 5.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -112.05 121.14 44.16 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.239 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.13 148.92 10.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.645 -176.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -97.31 103.57 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.177 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.2 -179.5 5.66 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 173.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 4.7 ttpm? -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.503 0.668 . . . . 0.0 109.571 177.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.37 7.29 36.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.513 -174.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.06 -170.76 13.45 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.324 174.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.408 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 98.5 m95 -80.62 129.64 34.64 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 122.327 0.251 . . . . 0.0 110.381 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -139.96 141.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.472 177.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 mtm -86.16 136.68 33.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.1 t -82.84 126.04 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.7 143.55 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -60.83 -20.2 61.26 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.078 -176.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -91.18 42.45 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 152.63 20.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 54.68 -137.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.82 26.54 22.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.833 174.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -92.9 110.51 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.877 0.37 . . . . 0.0 110.262 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.411 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 18.2 m -70.94 165.12 24.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.004 175.243 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -74.51 64.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.383 0.611 . . . . 0.0 111.768 -177.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 70' ' ' GLN . 40.7 ttmt -158.11 165.15 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.697 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.448 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 9.8 tt0 -78.5 139.35 38.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 175.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.411 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 72.2 m95 -110.3 155.5 22.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.252 -178.045 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -83.34 40.51 0.72 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -169.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -162.74 74.05 2.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.968 0.413 . . . . 0.0 110.206 174.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.778 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.1 Cg_endo -83.81 -9.96 9.66 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.79 2.327 . . . . 0.0 111.71 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.99 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 43.4 m -72.28 -5.64 37.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.743 -175.447 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -72.44 -13.78 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.078 175.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.24 26.56 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 11.9 p -56.52 -53.46 57.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.898 -177.071 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 40.8 ttmt -63.13 -27.98 69.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.345 -176.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.5 -50.12 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.68 -33.99 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.39 178.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.5 mm-40 -65.91 -37.92 87.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.887 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.4 mmm180 -65.5 -23.18 66.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.949 0.404 . . . . 0.0 110.674 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 36' ' ' ARG . 93.6 mt -101.94 10.56 39.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.545 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 58.65 44.18 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.78 0.8 . . . . 0.0 110.862 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -115.1 169.7 8.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.698 174.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.72 -140.23 1.74 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.756 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.83 150.74 86.37 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.99 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.1 Cg_endo -79.91 115.98 3.37 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.876 2.384 . . . . 0.0 112.007 177.49 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 133' ' ' LEU . 88.0 mt -90.47 -45.84 8.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.018 -173.515 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -133.53 141.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 0.0 111.588 -172.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 74' ' ' PRO . 4.8 mt -139.68 84.05 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.068 177.308 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.67 174.93 32.93 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 119.289 -0.728 . . . . 0.0 111.612 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.46 123.57 13.1 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.488 2.125 . . . . 0.0 111.796 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.883 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -98.41 -76.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.538 -172.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 79.0 mt -137.3 170.09 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.461 0.648 . . . . 0.0 111.718 -176.065 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -113.54 96.49 5.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.164 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.2 p -108.19 36.93 2.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.953 -174.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 64.38 103.6 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.328 0.585 . . . . 0.0 110.159 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.488 ' HB ' ' OG ' ' A' ' 104' ' ' SER . 19.0 p -128.88 67.64 78.08 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.107 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -87.72 -11.97 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.084 1.856 . . . . 0.0 111.939 176.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -153.59 -32.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.558 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -61.25 -30.73 70.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.733 -172.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.488 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 56.4 p -95.15 124.53 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.157 0.503 . . . . 0.0 111.118 -175.588 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.2 pt -104.53 142.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.563 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.6 mt -105.86 118.3 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.2 t -94.88 139.66 31.0 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.809 -177.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -109.9 156.72 20.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.601 -175.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.34 -129.76 9.21 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.669 178.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -114.38 143.98 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -175.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.2 114.85 1.61 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.801 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.65 10.42 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.644 -177.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.2 t -94.84 113.3 25.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.78 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.8 19.99 19.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.251 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 m -67.73 -34.01 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.687 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -141.28 94.05 2.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.143 0.497 . . . . 0.0 110.304 -179.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -117.08 142.18 47.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.7 m -121.99 155.83 34.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.828 0.347 . . . . 0.0 111.344 -173.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -79.7 134.15 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 -177.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -91.14 128.33 36.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 13.0 tpt85 -98.2 5.13 48.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.466 -178.062 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -106.48 129.1 54.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.11 56.3 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.647 0.737 . . . . 0.0 110.534 -174.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -124.54 11.72 8.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 174.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.41 138.58 31.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.179 -178.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -105.55 130.43 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -65.42 133.37 51.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.901 0.381 . . . . 0.0 110.524 -178.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.92 124.48 23.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.883 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.28 133.14 11.31 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.536 -175.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.483 ' HB3' HD21 ' A' ' 37' ' ' LEU . 67.3 tp -117.0 116.04 26.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.2 m -101.85 109.13 20.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.016 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.84 154.9 18.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.458 HD21 HD11 ' A' ' 90' ' ' LEU . 19.0 mt -60.67 113.14 2.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.009 0.433 . . . . 0.0 110.085 175.37 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' OE1' ' HB3' ' A' ' 44' ' ' CYS . 36.5 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.075 -174.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HD3' ' OG ' ' A' ' 27' ' ' SER . 11.1 ptp180 . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.7 0.286 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 94.5 mt -115.61 56.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.002 0.43 . . . . 0.0 110.193 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 29.8 m -90.31 151.59 21.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.48 22.48 0.17 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.05 0.452 . . . . 0.0 112.069 -176.734 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' H ' ' C ' ' A' ' 27' ' ' SER . 82.9 m-85 -108.29 -15.69 14.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.963 172.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.05 136.75 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 178.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.74 -11.5 21.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.486 2.124 . . . . 0.0 111.459 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.24 -9.87 55.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.242 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -80.63 134.27 35.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.175 -178.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -121.03 132.56 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.022 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.09 157.44 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.056 178.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -139.3 145.78 39.54 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.67 125.5 49.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -61.37 128.31 35.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.3 -18.11 56.94 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.762 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t 30.64 -86.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.897 1.279 . . . . 0.0 113.814 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -105.6 -41.69 5.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.252 0.549 . . . . 0.0 109.926 177.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.534 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 13.6 t -147.56 146.45 29.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.774 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -57.28 -22.84 44.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -167.131 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.799 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 79.7 m -113.37 26.11 10.71 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.607 -177.233 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 1.6 pt20 -155.27 100.21 2.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.152 175.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.88 -156.72 13.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.554 -175.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -75.87 136.79 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.191 -0.299 . . . . 0.0 110.191 -177.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -89.82 112.17 23.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 -178.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.09 128.87 55.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.45 151.37 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -94.55 112.15 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.892 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 HD13 ' A' ' 105' ' ' ILE . 84.3 mt -94.04 -168.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.994 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -61.56 -27.26 68.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.1 -68.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.841 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.29 -158.35 9.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.122 -178.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.426 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.1 m95 -85.07 130.08 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.854 0.359 . . . . 0.0 110.466 -178.088 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -139.14 151.56 46.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.025 0.44 . . . . 0.0 110.971 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE1' ' OG1' ' A' ' 98' ' ' THR . 75.4 mtp -85.52 131.47 34.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.628 -175.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.72 126.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 62' ' ' GLN . 11.3 t -92.13 142.83 27.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.462 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -80.07 32.85 0.27 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.548 -178.137 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 60' ' ' CYS . 25.3 mm-40 -120.99 24.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.434 174.4 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.9 m -92.78 157.26 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -175.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 60.57 14.4 4.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.176 175.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.28 66.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.998 -177.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -107.74 136.97 46.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 t -76.24 154.97 34.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 -177.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -77.62 72.37 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 111.56 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -144.46 161.67 38.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -63.13 105.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.277 0.361 . . . . 0.0 110.199 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -77.47 136.49 38.36 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 58.03 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 111.265 -172.21 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -169.58 69.55 0.65 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.643 172.651 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.47 -14.78 17.93 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.042 1.828 . . . . 0.0 111.665 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -70.18 -16.72 63.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.252 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.34 -35.21 67.35 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 170.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.66 10.88 38.82 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.238 -175.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 26.5 t -58.92 -35.35 72.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.72 -29.78 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.89 -50.5 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 87' ' ' GLY . 80.6 m -56.89 -42.14 79.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.133 177.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.67 -49.64 75.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.872 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -64.19 -28.13 69.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.392 -178.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mp -90.92 9.98 28.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.937 -178.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.77 42.35 8.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.845 0.831 . . . . 0.0 110.413 177.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.01 168.27 13.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.291 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 81' ' ' CYS . . . -75.55 -179.82 45.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.847 177.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.08 156.05 51.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.818 -175.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 73.1 Cg_endo -81.81 120.49 3.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 113.383 -177.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 133' ' ' LEU . 72.4 mt -76.0 -54.03 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.832 177.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.8 m -143.03 159.82 41.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 -174.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.729 HD11 HD12 ' A' ' 130' ' ' LEU . 46.1 tp -144.6 126.86 15.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.212 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.06 -148.16 12.39 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.278 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.2 123.22 7.61 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.285 1.99 . . . . 0.0 112.035 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.912 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 45.2 t80 -105.01 -53.73 2.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.353 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.541 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 97.4 mt -139.74 173.35 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.025 -179.687 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.0 86.98 2.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.842 0.83 . . . . 0.0 110.026 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.455 ' OG1' ' HE1' ' A' ' 58' ' ' MET . 1.4 m -69.77 -23.23 63.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.23 -176.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.457 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 1.3 t80 57.69 35.23 25.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.87 170.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 m -110.95 96.58 30.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.766 -177.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 12.7 Cg_exo -70.7 67.89 2.26 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.459 2.772 . . . . 0.0 112.525 -178.56 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.695 ' HG3' ' HE1' ' A' ' 119' ' ' HIS . 63.1 tt0 -174.18 -50.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.559 177.22 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -70.4 -36.96 74.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.1 p -85.78 143.69 28.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.421 HD13 HD11 ' A' ' 52' ' ' LEU . 29.8 pt -127.7 157.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.072 -177.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 59.4 mt -114.47 121.0 65.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.468 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 78.2 m -98.41 151.65 20.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.196 -176.172 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -126.31 160.25 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.17 -129.18 7.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.82 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -104.05 151.94 22.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.1 tp -56.34 104.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.35 0.406 . . . . 0.0 110.883 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.57 -5.76 26.29 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.785 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.528 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.7 t -101.19 118.78 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.151 0.5 . . . . 0.0 110.289 177.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.468 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 80.7 m-85 -105.72 28.26 7.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 27.8 m -57.8 -33.12 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -174.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -147.11 114.27 6.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.048 0.452 . . . . 0.0 109.962 176.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 56.6 m -120.07 151.18 39.41 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -116.04 143.61 45.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.042 0.448 . . . . 0.0 111.5 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.695 ' HE1' ' HG3' ' A' ' 102' ' ' GLN . 13.9 t60 -61.61 119.93 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.756 176.719 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -97.41 109.91 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.958 0.408 . . . . 0.0 110.856 -176.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.53 -6.61 58.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.362 0.601 . . . . 0.0 109.574 173.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -63.49 125.64 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.515 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.26 -22.3 52.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.3 ttt -77.33 81.76 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.299 0.571 . . . . 0.0 109.532 174.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.7 t -141.29 135.68 30.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.717 -178.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -117.69 125.66 51.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.9 m -65.72 127.68 32.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.308 . . . . 0.0 110.66 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.98 128.57 36.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.957 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.912 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.26 132.03 8.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.028 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.729 HD12 HD11 ' A' ' 92' ' ' LEU . 58.1 tp -109.81 127.38 54.63 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.9 m -105.69 91.29 3.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 -177.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 19.8 m -87.25 159.35 18.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.068 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.553 HD12 ' HG ' ' A' ' 90' ' ' LEU . 4.0 mp -69.27 85.86 0.4 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.799 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 8.4 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.301 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 115' ' ' SER . 70.0 mtt180 . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.611 0.243 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' ' 115' ' ' SER . 69.1 mt -95.65 93.23 7.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 169.771 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -114.25 163.85 14.69 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.978 -175.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -77.54 13.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.701 -176.851 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.79 -9.86 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.571 173.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.31 142.89 55.16 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.508 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.88 -24.66 24.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 123.232 2.621 . . . . 0.0 113.413 -172.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -109.16 16.99 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -75.34 123.69 25.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.188 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.87 119.98 37.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.631 -175.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.22 160.88 39.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 179.364 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -157.67 173.93 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.282 179.319 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.12 138.91 51.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -60.65 146.09 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HG3' ' H ' ' A' ' 40' ' ' SER . 16.5 ptt85 -47.1 -59.81 2.89 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.45 0.469 . . . . 0.0 111.596 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.562 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 24.4 t 57.53 -100.7 0.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 176.064 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.73 -37.74 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.578 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.2 t -153.66 143.26 21.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.259 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.46 8.54 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -169.65 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 43.5 t -106.06 -8.36 17.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.33 0.586 . . . . 0.0 110.64 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.578 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.6 OUTLIER -148.89 96.84 2.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 0.0 110.05 179.129 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.34 -157.61 9.32 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.926 -175.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.492 ' OE1' ' HE3' ' A' ' 58' ' ' MET . 58.5 mt-30 -80.81 139.09 36.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -179.787 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.38 120.3 24.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.963 0.411 . . . . 0.0 111.293 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 47.7 mt-10 -110.55 127.42 55.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.536 174.302 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.455 HG11 ' CE2' ' A' ' 114' ' ' PHE . 30.6 m -119.53 152.0 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 179.062 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -93.09 112.43 24.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.881 -177.457 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD13 ' HD1' ' A' ' 57' ' ' HIS . 80.5 mt -103.12 -172.89 2.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.347 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.734 ' HD2' ' H ' ' A' ' 53' ' ' LYS . 3.0 mptp? -59.17 -42.13 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 0.0 110.558 -179.201 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.12 -49.04 68.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.76 -152.12 22.96 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.841 -176.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.8 132.1 35.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 -177.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' HD1' HD13 ' A' ' 52' ' ' LEU . 25.3 m170 -136.39 148.49 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.392 -178.377 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE3' ' OE1' ' A' ' 47' ' ' GLN . 49.1 mtp -79.9 132.47 36.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.221 179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.37 128.67 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.935 0.398 . . . . 0.0 110.448 178.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.81 151.31 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 77.5 p -65.68 -26.74 67.91 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -169.658 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.89 10.69 3.91 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.035 0.384 . . . . 0.0 112.035 -176.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -66.48 137.11 56.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 62.19 10.83 4.01 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.939 178.333 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 28.99 23.65 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.264 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 61' ' ' SER . 41.9 mmt-85 -70.99 129.65 39.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.171 0.486 . . . . 0.0 109.994 173.292 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -105.3 -174.88 2.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.0 -178.089 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 t -76.97 48.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.44 0.638 . . . . 0.0 110.534 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -164.19 127.81 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.708 178.114 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.472 ' OE1' ' HA ' ' A' ' 91' ' ' SER . 9.7 tt0 -60.1 127.98 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.901 0.381 . . . . 0.0 110.822 -178.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -70.9 150.53 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.61 -15.33 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -169.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -129.4 94.18 33.6 Favored Pre-proline 0 C--N 1.326 -0.433 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.753 176.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -87.88 -5.74 6.83 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.942 2.428 . . . . 0.0 111.092 170.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.81 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 52.7 m -75.09 -8.9 57.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.178 -173.72 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.33 -27.22 45.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 177.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.47 25.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.576 -175.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.455 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 63.4 m -53.96 -39.41 65.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.535 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.633 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.36 -51.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.34 -34.6 78.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.636 -178.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -54.61 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.862 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -63.99 -22.12 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.499 -175.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -86.38 3.26 44.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.828 179.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t30 63.3 51.93 2.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.843 0.83 . . . . 0.0 110.207 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.9 m -121.55 -80.4 0.62 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.534 178.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.17 -132.22 2.75 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.256 -177.058 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.12 151.72 75.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.81 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 9.7 Cg_endo -86.74 105.31 0.68 Allowed 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.162 2.575 . . . . 0.0 111.163 173.78 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.98 -46.04 22.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.229 -174.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.472 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 14.5 m -140.09 144.01 36.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.776 -175.434 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.606 ' HG ' HD12 ' A' ' 130' ' ' LEU . 2.5 tt -146.67 85.29 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.55 -165.01 15.68 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.465 -177.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.51 111.03 1.98 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.796 2.33 . . . . 0.0 111.863 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.878 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.4 t80 -98.74 -62.99 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.404 -174.748 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.629 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 92.3 mt -123.35 -174.14 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.779 -176.307 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.45 81.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -77.81 -34.17 52.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.472 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 50.21 61.81 3.0 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -115.61 87.03 16.49 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 171.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.79 55.66 3.34 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.649 2.899 . . . . 0.0 113.085 -172.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -147.08 -48.95 0.18 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.378 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m -90.32 -8.04 51.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.945 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.8 p -92.99 140.81 29.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -125.67 154.65 34.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 177.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.44 125.56 71.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.21 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.4 m -95.18 124.81 39.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -174.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.18 153.57 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.4 -149.49 16.94 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.971 -179.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -93.5 140.33 29.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.9 tp -51.34 120.62 5.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.173 -178.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.85 -12.14 41.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.101 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -101.01 113.75 27.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.455 ' CE2' HG11 ' A' ' 50' ' ' VAL . 85.9 m-85 -101.02 40.0 1.33 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' A' ' 25' ' ' ARG . 14.5 p -52.19 -60.52 3.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.919 -174.341 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -146.9 84.27 1.6 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 45.4 m -77.6 132.86 38.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.55 177.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -99.87 157.97 16.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 111.008 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -60.38 128.74 38.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.531 177.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -65.67 118.23 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -123.81 68.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -127.93 152.17 48.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.935 -172.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.44 -36.77 45.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.991 175.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.5 ttp -135.22 125.13 25.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.11 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.3 t -168.03 137.61 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -107.41 166.74 10.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.687 -175.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 m -77.98 129.02 34.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.41 123.38 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.878 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -111.96 118.54 4.77 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.323 -176.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.606 HD12 ' HG ' ' A' ' 92' ' ' LEU . 60.1 tp -103.03 117.42 34.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.037 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.0 m -100.16 103.33 14.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.527 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 81.7 m -89.14 154.83 19.84 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.71 91.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 111.199 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.652 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 38.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.959 0.409 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.44 61.62 0.6 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 171.37 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.6 m -90.05 153.55 20.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.733 -175.694 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -78.18 35.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 111.195 178.356 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' SER . 31.8 m-85 -134.07 1.94 3.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.039 171.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 m-20 -88.77 139.04 29.33 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 17.3 Cg_exo -66.38 -26.14 48.42 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.421 2.747 . . . . 0.0 113.329 -171.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -92.79 -1.49 56.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.996 -177.452 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -82.02 128.65 34.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.058 -179.451 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -111.0 138.55 47.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -149.16 151.87 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 7.5 ptp180 -145.49 170.68 15.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.881 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 130' ' ' LEU . 93.2 mt -111.14 143.35 42.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.605 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 p -63.49 161.03 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.358 0.412 . . . . 0.0 110.829 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -54.62 -61.89 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 t 53.17 -99.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 123.816 0.697 . . . . 0.0 111.014 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -126.49 -15.34 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.513 0.673 . . . . 0.0 109.749 177.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.632 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 40.7 t -167.68 139.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.22 -176.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 50.0 mtpt -68.45 -10.89 58.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.082 -179.188 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 12.8 t -98.92 5.0 47.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 111.022 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.632 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 1.6 pp0? -158.87 116.89 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.338 0.59 . . . . 0.0 110.809 177.325 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.83 -163.07 34.03 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.914 -177.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.98 142.94 41.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.1 tp -81.13 119.41 23.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 -176.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 44.5 mt-10 -111.59 126.2 54.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 172.782 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.15 150.96 13.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.162 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -89.21 107.98 19.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 105' ' ' ILE . 93.4 mt -88.28 -173.8 4.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.31 176.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -61.78 -35.72 78.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.872 0.368 . . . . 0.0 111.095 -175.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -93.97 -32.2 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.09 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 119.718 -1.229 . . . . 0.0 113.531 -177.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.8 m95 -78.03 135.55 37.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.45 -176.478 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -141.25 142.95 33.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.698 176.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.665 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 55.8 mtm -77.92 141.55 38.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 -178.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.94 132.16 35.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 110.616 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.5 t -86.38 136.29 33.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 t -76.48 12.76 1.14 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -171.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -117.39 39.75 3.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.952 0.882 . . . . 0.0 109.491 176.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.7 m -99.08 162.05 13.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.217 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 60.9 -91.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.523 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.92 37.48 1.34 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 176.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -116.57 167.36 11.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 t -152.18 -154.83 0.56 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.1 m -78.34 58.27 2.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -135.25 159.27 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.404 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -129.26 133.01 47.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.188 0.518 . . . . 0.0 111.342 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -106.78 153.8 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.658 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -84.5 42.28 0.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.47 83.25 5.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -92.09 7.51 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.066 2.51 . . . . 0.0 111.722 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -59.89 -24.25 64.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.218 -173.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.47 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 12.4 mm100 -53.98 -27.25 30.34 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.9 35.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 111.699 -176.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -53.86 -55.45 26.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.567 -178.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -64.24 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -175.425 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.85 -59.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.819 -176.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.33 -39.33 90.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -67.62 -47.64 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.303 -175.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -73.52 -20.16 60.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 31.8 tp -67.81 -56.29 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 175.429 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 84' ' ' LEU . 9.6 t30 158.12 -33.37 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.092 0.87 . . . . 0.0 110.586 -175.067 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 133' ' ' LEU . 57.9 m -85.08 179.29 7.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.229 -169.43 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.06 -132.16 4.34 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.757 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.68 156.93 88.14 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.36 136.38 9.93 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.346 2.697 . . . . 0.0 112.341 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD22 HD23 ' A' ' 133' ' ' LEU . 73.1 mt -91.44 -49.58 6.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.353 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p -143.0 145.35 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -178.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tt -141.85 131.97 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.91 -163.78 32.42 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.89 99.68 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.475 2.117 . . . . 0.0 111.632 177.345 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.854 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 59.9 t80 -86.63 -59.63 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.314 -177.146 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 82.8 mt -125.01 161.14 27.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.65 178.078 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -116.51 68.55 0.73 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.57 0.7 . . . . 0.0 110.447 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.5 m -66.62 -29.82 69.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.19 177.477 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.3 t80 48.65 62.15 2.71 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.743 0.652 . . . . 0.0 111.101 175.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 p -123.23 85.05 51.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.565 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.476 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 39.6 Cg_exo -58.08 -24.08 64.25 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.133 2.555 . . . . 0.0 112.514 -178.344 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.547 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 53.5 tt0 -67.11 -31.69 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.882 179.652 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -102.0 -33.7 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.7 p -87.2 156.21 19.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.483 0.658 . . . . 0.0 111.874 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.779 HD12 HD11 ' A' ' 52' ' ' LEU . 36.2 pt -127.09 152.64 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.633 178.522 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.16 134.95 59.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.373 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -118.61 158.58 25.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -174.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -124.97 152.4 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.627 -177.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.7 -152.43 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.474 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.79 133.95 36.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.7 tp -52.49 100.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.522 0.514 . . . . 0.0 111.715 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.456 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 130.88 -20.68 4.78 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.0 t -107.45 115.62 30.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.893 0.378 . . . . 0.0 110.459 -178.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.526 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 91.3 m-85 -86.57 53.33 2.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.67 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.4 p -71.55 -31.54 67.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.779 -174.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -151.0 95.79 2.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.976 0.417 . . . . 0.0 110.451 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 2.9 m -115.25 162.01 17.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.975 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -147.96 165.72 29.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.547 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 57.8 t-80 -57.73 133.2 55.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.926 177.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 22.6 t -65.45 123.26 19.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.6 . . . . 0.0 111.1 -174.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.592 ' O ' ' HD2' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -131.02 4.21 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.086 177.81 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -71.51 141.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.695 -172.141 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.71 -17.27 64.77 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.848 -176.292 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 mtt -132.25 119.05 20.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.0 t -143.84 112.34 6.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.201 0.524 . . . . 0.0 110.948 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -111.45 125.8 54.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.03 133.49 55.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.065 0.459 . . . . 0.0 111.647 -176.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 tt -77.71 130.18 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.139 -176.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.854 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.14 145.31 18.67 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.229 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 37' ' ' LEU . 54.4 tp -131.38 136.34 47.96 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.615 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.0 m -121.73 113.77 20.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 176.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.2 m -103.21 159.78 15.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.701 -177.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.488 HD23 HD22 ' A' ' 90' ' ' LEU . 38.5 mt -73.19 117.21 14.65 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.397 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.602 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.8 tt0 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 171.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.648 0.261 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -130.93 91.67 3.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.1 t -104.44 153.69 20.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -1.13 15.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.024 0.44 . . . . 0.0 110.302 175.536 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.64 -28.14 33.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.431 175.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.4 m-20 -60.59 134.44 91.73 Favored Pre-proline 0 C--O 1.231 0.092 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 11.3 Cg_exo -70.59 -24.31 26.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.069 2.513 . . . . 0.0 112.308 -175.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.21 -2.11 56.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -77.99 102.52 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.9 mm100 -85.3 131.38 34.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.783 -178.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.03 150.66 37.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.881 177.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 166.54 32.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.992 0.425 . . . . 0.0 110.205 -179.679 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 130' ' ' LEU . 46.4 mt -110.42 138.25 47.06 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.603 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -67.43 165.89 15.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.87 -73.11 0.09 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.138 0.273 . . . . 0.0 110.806 -174.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t 65.98 -74.6 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.499 0.5 . . . . 0.0 111.285 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -147.73 -32.52 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.445 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 50.2 m -145.58 145.9 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.639 ' H ' ' HD3' ' A' ' 43' ' ' LYS . 2.6 mppt? -65.29 -20.27 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.902 -169.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.715 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 86.6 m -117.32 24.16 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 175.23 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 66.8 mt-30 -141.1 79.04 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.31 -152.49 6.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.281 -176.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.97 143.59 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.66 110.04 13.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.488 . . . . 0.0 110.416 -178.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -111.56 124.45 52.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.45 152.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.016 0.436 . . . . 0.0 111.005 -175.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 61.8 t80 -105.38 114.33 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.506 -178.086 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.57 -167.0 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.9 mptp? -57.15 -36.48 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 0.0 110.559 178.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -85.75 7.94 21.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.811 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.45 -154.64 20.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.382 173.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -81.78 122.04 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 111.071 -178.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -139.96 150.45 44.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.379 176.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.45 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.1 mtp -81.13 154.01 26.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.14 -178.722 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.5 t -101.69 129.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.27 141.92 30.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -67.85 -10.91 56.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.264 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.24 8.14 34.69 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.889 -0.507 . . . . 0.0 111.22 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.1 m -70.31 155.8 40.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 60.12 27.92 17.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.056 175.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.88 34.08 87.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.516 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -102.94 158.02 16.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.963 0.411 . . . . 0.0 110.549 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.418 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 2.2 p -101.31 155.97 17.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.457 176.678 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.9 m -79.82 76.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 111.874 -174.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HE3' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -154.31 169.86 22.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.812 175.177 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -59.29 118.14 5.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.887 0.375 . . . . 0.0 110.666 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -78.97 139.0 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.574 178.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.43 -9.73 54.92 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -130.02 77.96 75.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 110.672 -177.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 3.0 Cg_exo -75.32 -18.85 17.74 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 111.407 177.357 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -20.11 61.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.24 -178.115 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -56.07 -29.04 59.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.65 0.262 . . . . 0.0 111.499 176.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.75 22.2 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -173.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -57.02 -39.93 75.71 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.98 -31.41 72.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.321 -177.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.34 -51.2 71.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 22.4 m -63.75 -35.77 81.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.548 178.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.14 -45.53 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -74.65 -18.13 60.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.76 7.42 44.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 177.165 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.67 48.57 1.4 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.644 175.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.4 m -140.65 179.76 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 176.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -152.61 27.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.961 -173.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.41 145.79 98.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 123.399 0.679 . . . . 0.0 111.222 -175.751 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -71.62 109.57 2.67 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.068 2.512 . . . . 0.0 112.092 177.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.17 -47.15 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.945 -178.025 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -141.28 158.9 43.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -175.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.9 tt -155.17 109.29 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -176.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.76 -149.54 10.52 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.79 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.68 87.34 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.342 2.028 . . . . 0.0 111.839 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.897 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 42.8 t80 -71.18 -46.37 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.655 -175.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.0 164.41 29.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.646 -176.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -120.49 82.93 1.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.294 0.569 . . . . 0.0 109.796 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -80.22 -24.92 39.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.063 -177.178 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.431 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 73.3 m-85 57.88 27.05 14.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.451 177.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 p -90.7 104.69 9.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 111.504 -178.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 122' ' ' ASN . 56.3 Cg_endo -72.06 -31.15 12.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.723 2.282 . . . . 0.0 112.941 -176.285 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.598 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 64.0 tt0 -82.8 -34.72 26.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.279 0.561 . . . . 0.0 110.571 -177.349 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 m -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.834 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -91.23 141.66 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.215 -174.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 58' ' ' MET . 21.4 pt -116.72 158.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.439 178.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -110.07 112.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.961 179.027 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -93.68 153.13 18.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.96 159.93 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.45 -177.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.33 -129.8 9.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.233 -178.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -120.12 146.36 46.03 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.0 tp -51.15 103.03 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.017 0.823 . . . . 0.0 111.242 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.72 -25.07 3.8 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.925 -178.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t -100.07 110.73 23.02 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.0 110.238 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -100.88 23.41 10.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.028 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.6 m -66.09 -21.07 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.293 -174.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -145.15 104.61 3.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.372 . . . . 0.0 110.775 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 51.9 m -127.1 148.58 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.013 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 m -127.36 143.92 51.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.9 0.381 . . . . 0.0 111.263 -177.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.598 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 46.6 t-80 -63.99 132.91 52.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.371 176.536 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 t -77.68 139.9 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -112.13 13.04 20.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.886 177.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 101' ' ' PRO . 93.7 m-20 -115.22 130.06 56.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.201 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.22 29.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.51 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.454 ' H ' ' C ' ' A' ' 122' ' ' ASN . 41.5 ttm -136.51 100.36 4.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.064 179.245 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.8 t -142.57 135.01 27.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.802 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.56 120.08 32.05 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 174.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.0 m -69.27 120.52 15.22 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 123.509 0.506 . . . . 0.0 110.538 -176.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.18 127.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.897 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -124.43 140.3 12.48 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -175.724 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.544 ' HB3' HD21 ' A' ' 37' ' ' LEU . 39.3 tp -118.8 118.17 30.85 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.268 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.9 m -97.18 93.45 6.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.175 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.715 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.6 m -91.16 142.66 27.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.692 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 112.01 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.918 0.39 . . . . 0.0 110.488 177.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.707 -177.972 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.71 0.29 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -115.92 77.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.209 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 m -114.75 151.55 33.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.09 21.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 112.009 -177.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -120.96 1.79 10.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 172.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -83.78 137.38 41.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -47.44 -47.59 17.37 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.343 2.695 . . . . 0.0 113.69 -171.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.82 26.05 8.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.932 -172.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.88 140.19 55.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.23 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 20.7 mt-30 -120.87 125.46 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.109 -175.137 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.528 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.86 151.55 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 -178.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -148.84 170.79 17.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.491 179.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.6 mt -115.82 144.0 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -58.98 162.15 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.051 -177.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -82.92 51.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 m -83.94 -73.95 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.264 -176.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -102.07 -64.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.527 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -149.77 -179.62 7.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.577 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 8.6 ptpp? -58.74 -38.41 78.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -169.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.734 ' HA ' HD12 ' A' ' 37' ' ' LEU . 72.4 m -112.49 28.27 8.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -176.625 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -145.5 90.14 1.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.15 -179.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.42 -162.75 29.11 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.064 -178.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 1.9 mp0 -78.87 148.53 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 110.406 -178.621 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.5 tp -87.24 120.01 28.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.79 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -114.57 123.13 48.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.565 174.178 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.24 149.63 13.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.116 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.4 t80 -81.55 92.75 6.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.698 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.781 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.8 tp -81.31 -167.92 1.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.794 -176.071 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 60.9 tttm -76.65 41.74 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.674 0.75 . . . . 0.0 110.816 -177.694 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 52' ' ' LEU . 5.5 p-10 -167.81 -48.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.844 178.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.89 -160.16 30.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.015 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m95 -72.07 121.12 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.1 -178.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -133.07 140.53 47.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.549 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.537 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 61.1 mtp -72.12 153.35 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 178.345 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.6 t -103.94 130.85 53.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.903 0.382 . . . . 0.0 111.18 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.0 t -83.84 144.2 29.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 128' ' ' LEU . 66.9 p -68.68 -16.13 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.734 -174.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -82.93 12.76 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 110.687 -178.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.1 155.05 41.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -176.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.21 18.48 9.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.542 178.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.45 71.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.351 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -85.31 148.28 26.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.133 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 p -76.33 159.88 30.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -74.72 42.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.7 mptp? -120.31 130.47 54.46 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -78.59 120.45 23.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.076 -178.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -94.14 128.4 40.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 51.2 mt-10 -78.54 44.15 0.51 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -171.239 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.59 67.73 80.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.481 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.5 Cg_endo -86.96 0.78 7.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.361 2.708 . . . . 0.0 112.583 -175.726 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -60.46 -15.64 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.01 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.38 -17.08 64.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 177.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.94 16.32 21.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.158 -178.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.665 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 35.9 p -57.38 -38.92 75.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.684 -177.231 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 67.7 mmtt -68.99 -23.99 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.671 -176.524 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.38 -45.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.33 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 176.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.3 -44.9 93.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.549 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.39 -25.81 67.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 177.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -89.97 6.02 43.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.721 -178.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 69.04 41.73 1.38 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.245 176.166 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 66.9 m -133.62 177.02 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.683 176.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.48 -148.34 14.03 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.84 -177.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.22 156.15 70.35 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.46 -178.175 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.665 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 11.5 Cg_endo -87.13 118.3 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.185 2.59 . . . . 0.0 112.063 178.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.0 mt -78.52 -46.85 18.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.769 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -135.84 143.77 45.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 -175.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.843 HD13 HD12 ' A' ' 130' ' ' LEU . 41.7 tp -146.12 115.9 7.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.131 176.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.06 -151.66 23.69 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.566 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.44 102.85 0.14 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.521 2.147 . . . . 0.0 111.984 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 56.1 t80 -97.98 -66.4 0.9 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.421 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 59.7 mt -124.6 -176.83 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.271 178.094 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 16.9 ptpt -128.95 75.54 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.061 0.458 . . . . 0.0 111.55 -174.396 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.423 ' HB ' ' HE3' ' A' ' 58' ' ' MET . 15.2 m -75.82 -26.99 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 179.24 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.428 ' CE2' ' HB2' ' A' ' 97' ' ' LYS . 30.6 m-85 43.61 67.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 175.363 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -134.65 95.45 15.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.197 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.36 10.42 0.57 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.758 2.972 . . . . 0.0 114.054 -173.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -126.47 3.54 6.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.228 0.537 . . . . 0.0 110.425 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -120.99 -29.23 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.443 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 7.3 m -102.02 130.91 48.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.935 178.121 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.489 HD12 HD21 ' A' ' 52' ' ' LEU . 33.1 pt -105.49 157.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 0.0 110.729 -178.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.0 tt -118.18 126.33 74.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 175.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.9 m -104.38 156.02 18.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 -176.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -125.39 149.86 47.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.99 -154.24 19.29 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.58 -176.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -87.38 150.48 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.5 113.24 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.918 179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.66 -21.38 11.49 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.468 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -88.24 117.03 26.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.081 0.467 . . . . 0.0 111.022 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -106.71 28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -89.1 3.86 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.196 -174.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.8 94.09 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 20.3 m -136.29 149.61 48.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.013 0.435 . . . . 0.0 111.562 -175.335 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 m -142.3 151.29 41.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 175.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.66 131.21 45.79 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.03 179.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 123.58 19.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.365 -174.014 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -103.97 58.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.776 0.798 . . . . 0.0 109.352 175.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -154.03 139.12 17.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.25 179.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -74.34 -29.82 61.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.624 -173.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.2 ptm -85.04 62.46 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -109.57 88.17 2.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.259 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.24 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.747 174.017 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -89.24 126.46 35.51 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.687 -176.017 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 61' ' ' SER . 7.9 tt -83.28 127.14 33.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.681 -177.702 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -128.84 167.75 20.86 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.551 -178.253 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.843 HD12 HD13 ' A' ' 92' ' ' LEU . 51.8 tp -125.05 127.87 47.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -110.93 99.93 8.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.6 m -97.99 156.36 16.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.411 0.148 . . . . 0.0 110.682 -177.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.18 97.62 0.19 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.079 0.466 . . . . 0.0 110.077 174.073 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.577 ' OE2' ' HG2' ' A' ' 43' ' ' LYS . 87.4 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.683 -177.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.6 mtt85 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.13 128.84 36.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -127.44 159.45 34.46 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -75.66 14.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.539 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HD1' ' HG3' ' A' ' 79' ' ' LYS . 48.6 m-85 -110.65 -6.32 14.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.439 174.402 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.9 m-20 -69.04 136.51 89.5 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.19 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 45.5 Cg_exo -58.15 -27.5 80.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.688 2.926 . . . . 0.0 113.829 -174.419 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -115.38 18.86 15.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.228 -177.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 63.6 t80 -60.28 128.02 34.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.038 0.447 . . . . 0.0 110.373 -179.272 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -103.32 109.89 21.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -174.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.3 151.92 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -150.29 147.82 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 71.6 mt -101.85 117.51 35.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 167.2 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -81.79 -96.22 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -168.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -115.28 -97.85 0.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.165 -169.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 p 46.8 -97.52 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.396 0.679 . . . . 0.0 112.098 -176.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.15 -51.87 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -170.03 172.46 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.25 -15.16 62.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -165.221 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 55.9 m -116.13 14.51 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 175.542 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 12.4 pm0 -150.09 83.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.654 0.74 . . . . 0.0 109.587 174.767 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.3 -156.62 8.37 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.724 -175.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -79.9 137.43 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.218 -178.178 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.57 109.95 11.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.34 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 48.8 mt-10 -112.62 127.32 56.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.699 175.469 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -124.31 154.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -175.429 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -93.41 91.08 6.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.97 -72.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.243 -173.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -149.65 -47.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -174.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.03 -27.04 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.696 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.55 -145.58 13.11 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -80.56 117.17 21.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.167 0.508 . . . . 0.0 110.321 176.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -126.25 139.05 53.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.68 -176.125 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 69.7 mtp -76.61 147.92 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.4 t -101.68 129.0 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.81 0.338 . . . . 0.0 110.433 178.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.33 132.83 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 1.1 p -74.49 2.32 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -175.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -86.12 5.3 34.47 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 172.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 14.2 t -68.77 150.52 47.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.553 -173.613 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 58.27 22.02 8.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.972 176.284 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 43.29 82.05 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.974 177.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 63' ' ' SER . 2.7 mmp_? -69.43 145.91 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 0.0 110.011 175.752 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -69.73 156.38 39.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.447 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -76.39 45.09 0.37 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.385 0.612 . . . . 0.0 110.807 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -150.12 162.34 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.82 122.42 16.88 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -73.62 142.48 46.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.276 -171.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -90.96 15.36 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.255 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.54 74.71 13.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.009 0.433 . . . . 0.0 110.121 177.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.98 -14.32 5.2 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.341 2.028 . . . . 0.0 112.745 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.9 p -66.18 -5.91 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.255 -174.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -62.39 -25.87 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.036 0.446 . . . . 0.0 110.11 175.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.22 21.2 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.282 -173.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.561 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.2 m -55.4 -32.75 62.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.728 0.299 . . . . 0.0 111.543 178.484 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' HD1' ' A' ' 29' ' ' TYR . 42.5 mmtm -66.03 -31.01 71.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.507 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.03 -50.56 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 109.874 177.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.28 -37.7 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.039 178.287 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.57 -39.19 87.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.044 179.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -68.9 -19.18 64.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.23 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp -102.36 11.34 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 111.047 176.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 62.33 41.5 10.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.773 0.797 . . . . 0.0 111.286 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.4 m -122.63 165.12 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.418 171.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.63 -139.19 1.89 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.101 -173.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.06 151.88 64.31 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 66.3 Cg_endo -80.22 124.95 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.046 2.497 . . . . 0.0 112.566 178.904 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.42 -36.84 57.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 p -152.36 150.87 30.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -175.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.88 HD11 HD12 ' A' ' 130' ' ' LEU . 10.3 tt -148.17 132.88 17.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.731 177.324 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.41 -159.46 29.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.426 179.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.67 79.96 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.064 2.509 . . . . 0.0 111.973 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.609 ' HB3' HD12 ' A' ' 96' ' ' LEU . 10.7 t80 -90.03 -34.78 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.488 -177.432 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.609 HD12 ' HB3' ' A' ' 95' ' ' PHE . 4.4 mp -137.94 179.88 6.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 178.681 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 59.9 pttt -161.11 121.02 2.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 110.921 173.434 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.6 p -89.27 -14.67 35.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.286 0.565 . . . . 0.0 110.533 176.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 63.82 22.22 12.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.241 174.161 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.448 ' HB ' ' OG ' ' A' ' 103' ' ' SER . 19.1 m -101.53 108.12 54.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.106 0.479 . . . . 0.0 110.154 176.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.73 11.25 3.16 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.198 2.599 . . . . 0.0 114.413 -170.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -129.99 6.17 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 178.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.448 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 57.5 p -110.52 -9.93 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.4 0.619 . . . . 0.0 109.822 174.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 p -125.93 141.96 51.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.055 -176.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 57' ' ' HIS . 27.8 pt -113.13 157.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.956 178.013 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -131.66 114.2 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.322 0.582 . . . . 0.0 110.063 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 28.4 m -86.54 153.82 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.604 -175.437 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.43 166.23 18.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.795 0.331 . . . . 0.0 111.151 -179.258 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.2 -117.67 4.6 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.624 174.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.05 125.41 29.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.363 -169.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.67 123.04 16.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.192 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.76 -12.59 53.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.793 177.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -78.54 92.97 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.888 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.22 64.39 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.712 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m -153.47 -54.74 0.11 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.83 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.31 61.86 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.556 0.693 . . . . 0.0 109.683 176.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 58.7 m -111.04 144.84 39.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.711 -177.276 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -108.26 160.07 16.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.731 -176.055 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -83.97 134.1 34.67 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.001 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -74.97 70.14 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -79.7 63.74 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.597 0.713 . . . . 0.0 109.566 176.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.61 137.28 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.459 179.185 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.21 48.17 1.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.129 0.49 . . . . 0.0 110.53 -177.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -149.3 29.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.452 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.48 143.14 27.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.212 0.53 . . . . 0.0 110.688 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.438 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 39.5 m80 -123.37 146.53 47.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.146 178.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 126.12 30.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -66.87 112.49 4.32 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.239 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 92' ' ' LEU . . . -95.49 128.6 9.58 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.534 178.567 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.88 HD12 HD11 ' A' ' 92' ' ' LEU . 45.0 tp -121.7 113.91 20.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.4 m -100.58 104.18 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.611 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 24.5 m -101.28 142.09 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.751 0.31 . . . . 0.0 110.935 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.89 128.42 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.731 176.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.618 178.297 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.34 60.72 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 109.539 174.27 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -130.61 145.76 51.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.974 179.352 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.07 19.83 0.22 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -173.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -108.05 -2.84 19.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.12 0.486 . . . . 0.0 110.0 174.019 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -95.72 143.19 25.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 178.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.61 -6.54 17.04 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.799 2.332 . . . . 0.0 111.933 179.297 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -103.64 4.46 35.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.15 118.62 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.145 0.498 . . . . 0.0 110.46 -176.466 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.15 102.4 14.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.65 -176.087 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 161.96 36.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.522 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 4.7 ptp180 -154.77 174.94 14.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.194 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD13 ' HA ' ' A' ' 44' ' ' CYS . 63.6 mt -111.35 128.75 56.06 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 170.334 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 49' ' ' GLU . 40.9 p -63.21 151.71 39.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 119.525 -0.274 . . . . 0.0 110.597 -176.215 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -46.86 -44.42 19.52 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.294 0.371 . . . . 0.0 111.509 -175.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t 43.2 -95.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.368 1.043 . . . . 0.0 112.535 171.298 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -114.76 -52.62 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.225 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.4 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 8.2 t -141.65 -176.55 4.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.015 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.831 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.34 -64.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -172.579 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.602 ' HA ' HD13 ' A' ' 37' ' ' LEU . 88.9 m -88.76 33.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 0.0 111.706 -174.272 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 10.6 pt20 -159.54 78.92 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.413 175.414 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.41 -171.06 20.92 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.574 -176.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.8 mp0 -73.83 133.27 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.523 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.21 111.15 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.175 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HB2' HG22 ' A' ' 38' ' ' THR . 38.2 tt0 -111.88 127.05 55.72 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.41 HG21 HD11 ' A' ' 52' ' ' LEU . 27.1 m -118.53 145.88 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.062 0.458 . . . . 0.0 111.005 -177.779 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -93.04 108.77 20.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.076 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD11 HG21 ' A' ' 50' ' ' VAL . 5.6 mp -95.13 -172.44 2.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.674 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.54 -5.24 35.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.754 0.311 . . . . 0.0 111.639 -176.016 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.36 29.75 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 178.354 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.37 -172.67 14.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.73 -1.224 . . . . 0.0 113.763 173.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 93.1 m95 -91.77 136.73 32.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -176.254 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -140.93 142.7 34.37 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 104' ' ' SER . 43.1 mtm -82.14 148.37 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 110.418 177.083 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -91.34 138.15 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.585 -178.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.39 147.77 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 128' ' ' LEU . 26.8 t -80.22 47.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.892 -178.288 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.114 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.4 m -141.71 154.98 45.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.549 -177.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 57.69 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.888 0.742 . . . . 0.0 110.977 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.08 31.43 1.96 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 176.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.44 119.32 37.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -78.09 170.36 16.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -80.7 49.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.35 0.595 . . . . 0.0 111.006 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -143.56 162.75 35.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.44 93.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.97 0.414 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.64 -179.719 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.29 35.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -167.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.04 86.59 4.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -87.61 -18.28 2.55 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.559 2.173 . . . . 0.0 113.452 -175.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.442 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.4 p -70.16 -3.68 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.64 -28.55 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.123 0.487 . . . . 0.0 110.33 174.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.11 24.95 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.847 -177.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.296 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.614 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.4 mtpt -62.5 -28.28 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.479 -176.052 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.1 -45.25 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.9 m -64.16 -32.96 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.335 177.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.93 -31.63 71.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 177.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 5.3 mmp_? -65.28 -33.25 75.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.468 177.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.2 2.11 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 63.09 47.24 4.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.563 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 58.1 m -123.43 170.24 10.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.178 175.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -72.3 -177.63 30.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.35 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.55 149.32 88.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.142 0.496 . . . . 0.0 111.348 -174.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 132' ' ' CYS . 31.9 Cg_endo -65.99 127.63 18.08 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.124 2.549 . . . . 0.0 113.209 -177.802 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 133' ' ' LEU . 95.7 mt -88.64 -34.23 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.988 178.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -143.59 135.57 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -177.061 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.823 HD11 HD13 ' A' ' 130' ' ' LEU . 56.6 tp -133.65 91.93 2.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.9 -152.08 8.96 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.44 133.46 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 -178.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.727 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.5 t80 -118.5 -63.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -176.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 90.7 mt -130.85 152.1 50.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.645 -179.279 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -93.87 80.83 4.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.315 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.7 m -74.26 -36.94 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.151 -177.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.4 t80 57.02 79.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.692 . . . . 0.0 110.858 179.227 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.7 m -125.42 97.46 36.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 177.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.93 -43.56 35.07 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.189 3.259 . . . . 0.0 114.397 -170.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.65 -34.18 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.864 0.364 . . . . 0.0 111.325 -176.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 t -98.86 57.26 1.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.641 -178.084 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' MET . 17.5 p -154.59 124.56 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.002 172.758 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -129.87 153.58 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.236 0.541 . . . . 0.0 111.921 -175.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.23 118.58 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.461 172.347 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.9 t -110.58 159.06 17.89 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.313 -172.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.01 175.39 8.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.93 -176.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.63 -156.95 20.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.542 -179.422 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -67.63 137.84 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.759 177.371 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.69 106.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.708 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 121.36 -13.4 9.5 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.801 178.735 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -96.24 124.34 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.426 178.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.8 m-85 -106.53 36.19 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.282 0.563 . . . . 0.0 110.156 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 m -91.78 -10.61 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.287 -177.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -141.22 74.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.09 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.596 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 13.2 m -114.2 151.64 32.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -176.821 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -119.95 160.52 22.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.919 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -73.37 135.22 44.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.026 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -63.61 121.22 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.148 0.499 . . . . 0.0 111.785 -172.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 13.2 tpp85 -114.77 32.77 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.224 1.012 . . . . 0.0 108.671 174.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -115.92 122.43 45.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.959 -176.145 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.62 -35.82 52.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 111.409 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.54 28.23 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.113 177.668 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.24 82.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.556 179.37 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -73.48 111.2 8.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -54.71 139.56 38.68 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -173.646 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.1 tt -81.32 129.7 34.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.561 -173.771 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.727 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -120.62 129.42 7.86 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.666 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.823 HD13 HD11 ' A' ' 92' ' ' LEU . 56.0 tp -97.97 113.23 25.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -98.13 101.85 13.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.382 -179.161 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.597 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.4 m -98.5 158.99 15.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.407 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 30.6 mt -64.93 91.16 0.09 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.079 174.191 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 42.3 tt0 . . . . . 0 C--O 1.252 1.217 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.139 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.188 0.518 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -108.49 104.41 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.254 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.477 ' C ' ' H ' ' A' ' 29' ' ' TYR . 52.6 p -103.22 150.44 23.7 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.254 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.5 22.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.528 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' SER . 80.0 m-85 -110.33 -14.17 14.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.898 173.901 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -72.93 134.0 81.51 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.13 -13.87 34.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.827 2.351 . . . . 0.0 112.4 -177.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -106.11 14.69 27.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.826 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -79.97 120.91 24.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.395 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.839 ' HA ' HE21 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -89.82 107.16 18.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -175.685 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.79 154.75 35.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.018 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.622 HH12 ' NH1' ' A' ' 39' ' ' ARG . 6.5 ptm180 -155.39 167.29 30.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.74 177.251 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 130' ' ' LEU . 94.6 mt -97.43 129.46 44.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.8 p -60.9 156.58 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.62 0.724 . . . . 0.0 111.764 -175.003 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.622 ' NH1' HH12 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.69 43.41 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.972 -176.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.48 -68.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.607 -176.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -116.53 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.363 -176.143 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 15.2 m -129.45 153.92 47.48 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -10.84 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.169 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.0 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.0 t -132.37 28.37 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.474 0.654 . . . . 0.0 109.938 175.184 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 42' ' ' SER . 41.6 mt-30 -146.92 103.68 3.64 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.65 176.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -152.46 10.57 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.228 -178.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.8 143.74 30.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -74.7 101.9 4.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.104 0.478 . . . . 0.0 109.814 174.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -102.21 122.48 44.27 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.47 150.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -172.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t80 -107.52 106.24 16.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.477 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -101.31 -76.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.099 -178.294 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -126.58 -50.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -177.331 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 55' ' ' GLY . 1.4 p-10 -71.91 -71.34 0.28 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.993 179.272 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . -166.12 -142.06 3.32 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.35 106.91 18.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.91 0.386 . . . . 0.0 110.349 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -118.61 151.76 37.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE1' HG23 ' A' ' 98' ' ' THR . 47.6 mtp -88.15 131.1 34.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.605 -176.576 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.81 129.47 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.859 0.362 . . . . 0.0 110.586 178.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.05 140.29 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.4 p -64.15 -18.69 64.69 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.14 44.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.401 0.62 . . . . 0.0 111.086 -178.598 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -99.37 159.45 15.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.77 175.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 57.94 30.62 19.42 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.853 0.461 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.27 11.83 64.98 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.87 179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.4 141.6 36.71 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.419 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 7.6 t -92.64 155.61 17.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.02 -178.681 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.2 m -71.2 76.37 0.7 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.736 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -146.08 170.94 15.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.18 111.96 20.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.419 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 77.5 m95 -91.57 128.11 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -96.08 54.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.595 0.712 . . . . 0.0 110.227 -175.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.513 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 5.2 t70 -146.8 58.63 4.5 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.4 173.72 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 2.8 Cg_exo -76.63 -7.29 17.6 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.982 2.455 . . . . 0.0 111.916 -175.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 p -59.3 -19.7 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.709 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -66.6 -17.66 64.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 177.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 19.08 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.872 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -57.48 -39.57 76.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 17.1 tppt? -53.06 -46.27 68.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.513 177.737 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.09 -48.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -177.571 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 65.3 m -61.14 -41.61 97.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.02 0.438 . . . . 0.0 110.687 -179.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.53 -32.83 71.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.778 -177.83 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 6.2 mmp_? -65.96 -28.64 69.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.993 0.425 . . . . 0.0 110.615 176.861 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD22 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.84 13.1 15.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.969 177.51 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 63.08 35.74 12.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.7 0.762 . . . . 0.0 110.931 179.269 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.7 m -112.72 170.13 8.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.243 176.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -87.01 156.68 54.85 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.759 0.314 . . . . 0.0 110.692 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.624 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 7.6 Cg_exo -70.09 121.01 7.64 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.891 2.394 . . . . 0.0 112.116 179.226 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -81.2 -34.46 32.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.728 -178.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -165.46 149.73 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 130' ' ' LEU . 9.7 tt -146.72 132.51 18.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.447 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.56 -160.4 29.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.366 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.37 111.79 3.33 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.869 2.38 . . . . 0.0 111.651 178.444 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.721 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 79.0 t80 -106.91 123.36 48.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -177.281 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.3 tp 70.42 154.98 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.822 0.82 . . . . 0.0 111.827 173.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.595 ' HG2' ' HE1' ' A' ' 126' ' ' HIS . 94.4 mttt -96.82 79.88 2.98 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.513 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.492 HG23 ' HE1' ' A' ' 58' ' ' MET . 0.2 OUTLIER -67.3 -32.22 73.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.513 -171.412 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.608 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 25.9 m-85 62.81 13.71 6.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.81 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 125' ' ' CYS . 22.0 m -88.0 108.46 21.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.523 -174.615 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 94.7 Cg_endo -105.75 41.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.969 3.113 . . . . 0.0 111.595 173.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -139.16 -75.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -82.12 13.63 3.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.115 0.484 . . . . 0.0 111.406 -176.141 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.7 p -108.42 149.6 28.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.023 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.5 pt -128.95 145.46 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 0.0 111.6 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.8 120.08 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.758 173.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.8 m -97.42 141.94 29.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.93 0.395 . . . . 0.0 111.01 -178.277 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.45 168.48 10.34 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.86 -123.04 5.75 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.149 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.71 144.13 49.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -177.057 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.61 116.89 2.52 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.486 0.491 . . . . 0.0 111.629 -178.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.44 46.37 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.158 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -103.55 116.86 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.199 0.523 . . . . 0.0 111.312 -177.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -97.38 48.24 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 p -66.41 -52.32 47.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.488 -176.56 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -139.55 111.22 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.947 0.403 . . . . 0.0 110.291 178.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 62.4 m -111.24 159.41 17.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.954 178.312 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 p -137.61 154.78 49.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.712 0.292 . . . . 0.0 110.99 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -51.2 128.96 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.75 177.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.4 t -67.98 97.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -177.082 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -93.51 79.72 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 178.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -142.34 168.32 20.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 177.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.18 -45.18 57.9 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 0.0 110.517 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.1 ptm -143.58 99.64 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.283 0.563 . . . . 0.0 110.773 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 100' ' ' THR . 5.6 t -77.2 141.34 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.007 178.482 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.595 ' HE1' ' HG2' ' A' ' 97' ' ' LYS . 84.0 m-70 -103.23 122.22 44.31 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 171.48 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 p -70.54 138.2 50.76 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.043 -179.259 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.9 tp -69.26 114.17 7.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.721 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -98.86 126.82 9.04 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.905 -178.076 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.914 HD13 HD12 ' A' ' 92' ' ' LEU . 60.7 tp -119.61 124.72 47.01 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.2 m -112.69 108.76 17.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.059 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.642 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 40.0 m -104.3 153.19 21.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.694 0.283 . . . . 0.0 110.389 -178.302 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.43 98.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 1.0 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 43.5 mt-10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.896 -176.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.745 0.307 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt -111.56 70.96 0.73 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.105 0.478 . . . . 0.0 109.811 174.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.608 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 23.9 m -85.37 142.11 29.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.315 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.44 22.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.21 0.529 . . . . 0.0 111.878 -178.514 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' SER . 61.9 m-85 -108.79 -19.11 13.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 172.457 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.22 151.71 85.87 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.358 -172.715 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.64 -51.93 7.21 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.814 2.343 . . . . 0.0 112.916 -176.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.2 17.87 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.115 -172.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 81.1 t80 -86.56 122.19 30.15 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.037 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -114.81 137.58 51.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.55 150.69 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.165 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.41 142.27 47.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.196 0.522 . . . . 0.0 110.674 -177.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 130' ' ' LEU . 78.6 mt -101.48 125.88 48.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.0 p -62.9 156.25 24.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.464 -176.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -73.13 56.05 0.44 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.211 0.529 . . . . 0.0 111.548 179.863 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -62.11 -55.4 29.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 177.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -145.38 -81.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.969 175.199 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -97.3 155.61 16.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 173.018 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.629 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -95.42 26.31 3.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -170.597 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 91.5 m -120.53 15.95 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 167.31 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -156.13 146.95 22.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.617 179.198 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.513 ' HA2' ' CE2' ' A' ' 95' ' ' PHE . . . 142.22 -169.87 25.23 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.253 176.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -61.77 137.87 58.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.461 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.9 tp -96.7 116.87 29.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -176.019 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -112.97 135.25 53.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.365 171.568 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG13 ' CZ ' ' A' ' 114' ' ' PHE . 27.7 m -119.86 153.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.959 -177.327 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -86.59 102.1 13.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.088 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 105' ' ' ILE . 79.1 mt -89.42 -177.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.131 178.132 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -56.93 -38.19 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.958 0.409 . . . . 0.0 110.984 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -99.07 5.48 46.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.836 -175.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.18 -167.63 14.74 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.242 -0.98 . . . . 0.0 113.624 176.027 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.405 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.7 m95 -73.83 134.3 43.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.764 0.316 . . . . 0.0 111.557 -175.268 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -146.52 155.86 42.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' HG12 ' A' ' 105' ' ' ILE . 81.6 mtp -87.51 139.34 30.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.283 -174.73 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 134.57 29.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.556 179.192 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.792 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 84.2 m -97.48 149.68 21.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.178 177.075 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.643 ' HA ' HD11 ' A' ' 128' ' ' LEU . 13.7 m -79.02 44.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 178.373 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.496 HE22 ' HA ' ' A' ' 67' ' ' SER . 24.3 tp60 -145.14 35.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.418 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -112.64 149.52 32.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.51 -172.153 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.77 20.76 9.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.309 0.644 . . . . 0.0 112.734 176.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.93 -2.9 82.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.34 -178.587 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 71' ' ' TRP . 6.8 mmm180 -73.76 116.28 14.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.496 ' HA ' HE22 ' A' ' 62' ' ' GLN . 10.1 t -73.96 173.27 10.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.265 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 p -73.77 68.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 111.969 -173.399 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -167.4 166.94 14.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -78.94 133.52 36.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.304 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 87.0 m95 -110.3 172.45 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 -178.068 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -82.39 -3.9 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -164.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.475 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t0 -124.22 90.1 51.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.345 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -97.63 -11.9 0.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.072 2.515 . . . . 0.0 113.307 177.14 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.614 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 p -76.19 -7.34 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.703 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.475 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 13.4 mm100 -58.93 -24.81 62.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.874 0.368 . . . . 0.0 111.503 177.32 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.18 26.15 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.636 -174.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -57.61 -43.87 85.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.646 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.17 -31.76 71.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.775 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.11 -55.59 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.141 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.3 m -59.72 -41.57 91.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.512 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.55 -42.39 99.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.873 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -33.48 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.292 -179.166 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -85.44 8.11 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.069 178.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.63 37.72 10.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 177.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.5 m -114.76 173.27 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.19 -163.6 38.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.77 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.41 152.37 44.31 Favored Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 122.831 0.452 . . . . 0.0 111.709 -177.282 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.614 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.5 Cg_endo -77.93 115.17 3.75 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.957 2.438 . . . . 0.0 111.874 178.599 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD11 ' CD2' ' A' ' 133' ' ' LEU . 2.1 tt -80.62 -43.29 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.925 -178.075 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.1 m -147.27 142.99 27.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.286 -175.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 130' ' ' LEU . 33.5 tp -136.96 100.86 4.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.194 176.693 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -172.58 -157.29 14.04 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.643 -176.071 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.74 128.07 20.16 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.5 2.133 . . . . 0.0 112.164 -179.572 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.513 ' CE2' ' HA2' ' A' ' 46' ' ' GLY . 42.1 t80 -132.13 98.37 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.629 179.507 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.8 mt 72.68 149.04 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.014 0.822 . . . . 0.0 111.402 -179.539 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 77.85 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.857 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.4 m -70.87 -28.59 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -177.009 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 55.49 79.8 0.15 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.037 0.446 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m -138.18 79.51 31.41 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.101 177.552 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.58 62.62 7.15 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.434 2.756 . . . . 0.0 112.572 -175.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -154.98 -56.48 0.1 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.249 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 t -85.07 -5.2 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.219 0.533 . . . . 0.0 110.002 178.387 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.792 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 33.9 p -82.45 136.85 34.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -178.279 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 52' ' ' LEU . 47.0 pt -125.94 152.65 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.382 0.611 . . . . 0.0 111.542 -178.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.2 121.85 63.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -108.64 151.87 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.287 -172.882 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.89 147.88 50.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.671 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.05 -124.1 3.66 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.097 -177.751 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -101.54 134.81 44.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.543 -178.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.52 109.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -178.88 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.39 -7.18 26.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.608 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.5 t -115.92 119.43 35.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.168 0.509 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.402 ' CZ ' HG13 ' A' ' 50' ' ' VAL . 97.1 m-85 -87.86 62.2 6.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.657 0.741 . . . . 0.0 109.469 177.266 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m -81.97 -67.82 0.75 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.242 -176.89 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -112.83 84.69 2.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.293 0.568 . . . . 0.0 109.654 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.641 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.6 m -101.43 144.95 29.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.414 -178.016 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -110.06 145.98 36.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -81.74 123.24 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.318 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.6 t -99.42 128.57 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 111.956 -170.119 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -110.74 42.06 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.456 ' HB3' ' HG2' ' A' ' 124' ' ' MET . 50.6 m-80 -121.45 142.29 50.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -178.524 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.32 -13.19 59.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.426 179.263 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.456 ' HG2' ' HB3' ' A' ' 122' ' ' ASN . 26.9 ptm -83.02 14.17 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.172 0.51 . . . . 0.0 110.604 178.297 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 80.61 9.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.169 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -58.46 129.17 40.79 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.909 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.4 m -68.24 127.1 31.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.549 -178.646 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.643 HD11 ' HA ' ' A' ' 61' ' ' SER . 9.3 tt -94.8 136.91 34.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.078 -178.082 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -133.82 153.33 20.83 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.337 -179.261 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.8 HD12 HD12 ' A' ' 92' ' ' LEU . 60.0 tp -114.77 134.43 55.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.4 m -113.1 98.7 7.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.658 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 21.6 m -92.9 141.78 28.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.251 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 90' ' ' LEU . 87.0 mt -67.33 147.4 53.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.402 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.435 174.952 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 114' ' ' PHE . 2.8 tt -93.78 82.39 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -176.833 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.1 p -111.48 165.42 12.0 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 -177.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.05 25.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.824 178.189 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.2 m-85 -130.4 25.86 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.739 172.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.78 149.32 36.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.908 174.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.09 -8.73 22.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 123.28 2.653 . . . . 0.0 113.325 -173.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -113.88 10.21 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 179.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -78.58 129.93 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.375 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -127.63 132.52 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.077 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.32 156.15 44.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.83 157.21 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.123 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.5 mt -105.86 144.28 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.027 178.742 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -78.84 171.33 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.729 -172.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -73.04 56.84 0.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.226 177.178 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -78.11 -56.37 4.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.98 -178.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.93 -44.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.296 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.706 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.533 ' HZ1' ' HB3' ' A' ' 43' ' ' LYS . 3.4 mmmp? -73.1 -20.52 60.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -164.716 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.001 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.1 t -122.53 30.54 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.367 0.603 . . . . 0.0 111.145 -177.859 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.61 115.92 3.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 175.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -155.26 25.76 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.562 179.172 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.492 ' OE1' ' HE2' ' A' ' 58' ' ' MET . 36.7 mt-30 -77.79 136.87 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -178.575 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.9 tp -86.52 112.09 21.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -104.68 132.7 50.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.016 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.18 150.1 21.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -178.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -89.47 106.85 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.15 178.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.7 mt -125.8 -158.36 0.84 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.075 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.21 -30.81 66.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.247 0.546 . . . . 0.0 110.961 -178.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.46 22.11 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.253 -178.094 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.89 -143.39 29.91 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.878 -179.348 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.8 m95 -82.03 117.65 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.86 149.57 49.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.134 0.493 . . . . 0.0 111.361 -177.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE2' ' OE1' ' A' ' 47' ' ' GLN . 45.6 mtp -80.24 124.75 29.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.665 -176.713 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.9 126.07 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 0.0 110.204 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -85.34 135.8 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HA ' HD12 ' A' ' 128' ' ' LEU . 16.9 m -59.59 -20.7 57.65 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -171.627 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -88.02 48.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 110.377 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.4 m -108.65 160.35 16.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.38 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 56.97 -96.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.807 178.061 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.6 36.62 1.25 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.52 HH21 HD23 ' A' ' 111' ' ' LEU . 21.2 mmt180 -85.8 132.87 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 110.198 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -76.83 160.69 29.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.866 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 61.55 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.067 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -157.12 151.78 25.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 -176.147 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.11 84.95 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.96 138.89 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 38.4 mt-10 -83.97 68.87 10.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.36 0.6 . . . . 0.0 111.775 -175.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 29.7 t70 -129.78 58.95 41.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.916 168.742 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 72' ' ' GLU . 61.0 Cg_endo -96.2 -16.53 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.892 2.395 . . . . 0.0 113.64 -173.133 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.9 m -65.53 -5.3 7.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.339 -175.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.9 -23.77 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 176.267 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.47 22.82 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -176.358 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.7 m -58.5 -41.69 85.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.807 -178.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.93 -30.35 70.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.607 0.242 . . . . 0.0 110.93 -177.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.2 -53.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 12.7 m -59.52 -39.4 83.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.178 178.555 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.85 -39.64 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.229 -178.457 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -73.25 -21.44 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.58 179.471 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.35 9.42 26.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.586 174.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 65.19 41.27 4.55 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.11 177.81 4.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.9 -141.09 9.14 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.856 176.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.82 150.07 81.1 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.023 0.439 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 55.7 Cg_endo -78.2 116.0 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.019 2.479 . . . . 0.0 111.653 175.48 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.5 -48.54 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.069 -175.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.417 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 5.6 p -135.69 146.1 47.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.024 -175.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 tt -151.1 95.35 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.845 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 -161.07 29.55 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.083 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.53 114.05 1.7 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.681 2.254 . . . . 0.0 111.683 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.679 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 15.2 t80 -118.81 -43.79 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.889 -174.173 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.604 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -133.58 145.17 49.82 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -172.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.9 mttt -91.15 77.77 5.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.737 175.106 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 p -82.65 -48.72 10.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.88 -175.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 71.3 m-85 54.47 57.1 6.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.565 0.541 . . . . 0.0 110.853 -178.02 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 84.16 8.6 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.127 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 4.6 Cg_exo -79.84 37.58 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.45 2.767 . . . . 0.0 113.461 -172.144 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -120.78 -48.09 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.074 0.464 . . . . 0.0 110.501 176.577 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -105.78 7.27 32.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.725 -176.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.9 p -94.88 142.56 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -132.46 149.3 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.92 118.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 173.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -105.0 157.35 17.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.754 -170.823 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -130.83 168.01 17.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.304 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 118.34 -151.18 17.95 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 144.97 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.397 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.52 HD23 HH21 ' A' ' 66' ' ' ARG . 6.1 tt -59.51 102.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 110.2 -178.485 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.64 -10.78 12.45 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -100.07 120.91 40.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.354 -179.116 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.597 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 98.7 m-85 -96.46 41.13 1.11 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.105 -179.9 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.0 t -63.44 -52.03 63.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.891 -176.263 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -132.38 104.6 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -110.79 140.32 45.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.784 177.208 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 t -110.37 156.45 20.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.028 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -66.88 130.95 44.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 t -61.68 121.27 12.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.49 0.494 . . . . 0.0 111.064 -172.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -137.1 68.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 -177.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -137.9 164.86 27.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.08 -51.03 71.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.604 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.7 ptp -117.65 141.21 48.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.917 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 45.6 t -138.58 115.14 10.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -103.43 130.31 50.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.08 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 61.6 m -64.0 133.44 53.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.109 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 61' ' ' SER . 26.2 tp -66.04 107.51 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.48 178.022 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.679 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -88.69 122.25 6.31 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.352 -176.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 tp -110.37 118.78 37.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.417 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.5 m -117.29 110.78 18.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.662 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.694 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 7.2 m -109.77 147.82 32.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.058 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.26 115.28 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.325 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 1.001 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 40.5 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.235 -176.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -48.78 109.07 0.21 Allowed 'General case' 0 C--O 1.225 -0.206 0 O-C-N 124.018 0.824 . . . . 0.0 112.107 -172.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.0 m -129.61 153.54 47.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.391 176.322 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.4 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -74.62 28.49 0.08 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.493 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' H ' ' C ' ' A' ' 27' ' ' SER . 81.5 m-85 -123.86 -12.03 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 173.374 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.5 143.5 97.13 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.193 -175.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.63 -51.41 10.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.013 2.475 . . . . 0.0 112.342 -176.636 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -97.58 32.45 2.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.639 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 67.7 t80 -74.37 101.72 4.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.663 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -86.24 114.66 23.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.789 -176.036 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.64 159.37 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 2.1 ptp180 -154.16 176.3 12.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.099 -179.001 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.1 mt -109.64 121.29 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 167.639 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 22.7 p -45.17 -87.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -169.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -148.39 -76.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.156 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 49.5 m 67.73 -81.31 0.03 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.489 171.091 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -172.12 -48.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 111.446 -173.253 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.721 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 31.7 m -101.46 158.19 16.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.798 -178.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -75.02 -38.18 61.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.42 -175.475 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 74.0 m -117.26 16.82 14.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.045 0.45 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.721 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 13.1 mt-30 -138.64 100.35 4.05 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.678 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.3 -171.53 38.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.983 -1.103 . . . . 0.0 113.031 -176.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.525 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 15.4 mt-30 -67.75 131.67 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.391 0.277 . . . . 0.0 110.926 -179.783 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.33 129.62 36.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.925 0.393 . . . . 0.0 110.735 178.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 37.6 tt0 -128.58 130.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.57 154.62 29.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.338 . . . . 0.0 110.973 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -97.45 95.9 7.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.782 -179.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -80.78 -174.13 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.95 -37.16 83.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.06 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.92 -33.44 75.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 176.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 -167.49 23.75 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.298 -177.537 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.19 124.28 20.45 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 122.365 0.266 . . . . 0.0 110.982 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -140.77 149.01 41.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.822 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 72.0 mtp -79.22 141.61 36.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.638 -177.799 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.34 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.091 177.337 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.3 t -103.17 149.94 24.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 -177.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.0 p -60.45 -23.4 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -170.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -77.51 8.82 3.83 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -175.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -76.58 147.92 37.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 -178.117 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 59.51 21.67 10.19 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.566 0.746 . . . . 0.0 112.291 174.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.76 21.47 79.67 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.471 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.98 146.65 45.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.674 178.128 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 p -90.45 153.02 20.7 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.791 174.646 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.5 m -79.32 43.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.337 0.589 . . . . 0.0 111.129 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -143.86 161.87 37.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -78.44 97.61 5.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.862 0.363 . . . . 0.0 110.981 -174.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -81.55 173.44 12.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.64 35.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 38.0 t70 -152.26 62.43 4.57 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 121.369 0.604 . . . . 0.0 110.162 177.843 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.53 ' HB2' ' H ' ' A' ' 92' ' ' LEU . 43.3 Cg_endo -103.57 16.38 0.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.044 2.496 . . . . 0.0 113.583 -176.161 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 46.3 m -117.28 16.03 14.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -89.01 69.97 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.733 177.172 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 29.49 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.524 178.527 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 m -58.29 -45.92 87.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.085 -175.646 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HE3' ' HG3' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -54.61 -37.62 65.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.344 179.405 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.22 -52.77 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.846 0.355 . . . . 0.0 110.11 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.98 -42.24 93.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.194 179.049 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.3 -39.78 89.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.561 0.22 . . . . 0.0 111.293 -175.875 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.577 ' HG3' ' HE3' ' A' ' 79' ' ' LYS . 25.1 mmt180 -71.47 -12.41 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.827 0.346 . . . . 0.0 111.388 -179.867 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.39 6.24 47.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.991 0.424 . . . . 0.0 110.329 173.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.52 49.61 10.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.344 -176.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.59 168.77 13.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.986 -179.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.38 -175.91 49.48 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.762 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.57 156.58 42.5 Favored Pre-proline 0 C--N 1.327 -0.393 0 C-N-CA 122.513 0.325 . . . . 0.0 110.975 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.615 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 3.5 Cg_exo -73.71 110.07 2.99 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.781 2.321 . . . . 0.0 112.113 -179.734 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.29 -43.67 66.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.021 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -152.2 137.96 17.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.639 -177.122 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.759 HD13 HD12 ' A' ' 130' ' ' LEU . 55.3 tp -131.49 103.29 6.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 174.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.05 -161.31 23.87 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.989 -176.496 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.91 100.12 0.35 Allowed 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 111.823 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.777 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.1 t80 -92.44 -39.26 11.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 -177.588 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.594 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 95.7 mt -137.57 150.05 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.418 -177.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -103.99 57.02 0.72 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.205 0.526 . . . . 0.0 109.909 176.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -64.09 -23.94 67.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.547 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 49.47 55.64 9.05 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 111.576 171.438 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -120.88 79.87 32.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.106 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.51 33.56 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.415 2.743 . . . . 0.0 112.813 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -113.98 -48.84 2.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.27 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 m -98.87 1.41 45.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.649 -177.178 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 p -98.17 153.04 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.572 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.9 pt -125.52 149.18 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.516 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 120' ' ' SER . 95.7 mt -124.41 112.89 34.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.396 177.174 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 64.0 m -87.99 114.86 25.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.031 0.443 . . . . 0.0 111.289 -176.713 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.01 91.95 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.67 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.78 -152.29 10.0 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.957 -178.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.68 138.07 58.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.699 0.294 . . . . 0.0 110.68 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.22 107.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.867 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 113.91 -15.14 21.48 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.097 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -93.88 129.53 40.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.397 0.618 . . . . 0.0 111.265 -179.767 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -106.72 44.88 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.593 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.3 t -91.69 -56.55 3.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.927 -176.196 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.26 75.98 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.056 -178.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.6 m -111.41 107.73 17.06 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.225 0.536 . . . . 0.0 110.736 -178.78 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -88.49 151.07 22.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.532 -179.737 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -73.91 68.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.508 ' HA ' HD11 ' A' ' 106' ' ' ILE . 8.7 t 56.88 82.52 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.747 173.418 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 121' ' ' ARG . 15.9 mmt85 -114.03 59.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.439 0.638 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.71 171.03 14.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.29 -58.47 7.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.171 178.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.3 ptp -99.26 163.79 12.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.743 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 39.0 t -157.57 110.12 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.521 175.414 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -106.35 139.36 40.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.595 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 m -67.15 117.18 8.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 -179.044 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.4 tp -71.76 109.37 5.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.832 -179.248 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.777 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -97.89 126.79 9.0 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.996 -178.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.759 HD12 HD13 ' A' ' 92' ' ' LEU . 53.0 tp -100.27 114.32 27.7 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.513 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.4 m -99.96 90.35 4.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.42 -178.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 26.3 m -80.86 137.41 36.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.666 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.21 102.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.034 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.546 ' HG3' ' HB2' ' A' ' 44' ' ' CYS . 35.0 mt-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.037 168.327 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' H ' ' HB2' ' A' ' 115' ' ' SER . 94.8 mt -133.73 66.46 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 179.172 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 19.3 m -92.95 149.74 21.04 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.432 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.25 20.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.23 0.538 . . . . 0.0 111.252 -179.101 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' H ' ' C ' ' A' ' 27' ' ' SER . 56.6 m-85 -106.34 -13.68 15.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.479 173.547 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.02 134.99 80.49 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.517 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.28 -15.04 35.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 123.103 2.535 . . . . 0.0 112.879 -175.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.14 4.53 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.095 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -76.3 143.47 40.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 49.7 mt-30 -120.79 133.24 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.916 -176.112 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.54 153.11 32.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.479 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -140.13 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 130' ' ' LEU . 97.4 mt -112.22 127.2 55.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 172.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.551 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 37.6 p -69.83 168.22 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -176.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.766 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -47.76 -68.31 0.2 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.842 0.714 . . . . 0.0 110.793 -176.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m 48.35 -99.03 0.05 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.813 0.696 . . . . 0.0 112.021 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -106.97 -53.72 2.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.433 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 69.0 m -139.67 159.74 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.456 -179.735 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -69.88 -2.25 11.79 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.364 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.4 t -137.95 24.01 2.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.822 0.82 . . . . 0.0 109.229 174.764 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 19.1 mt-30 -145.89 89.45 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.666 178.438 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.65 -163.79 30.48 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.387 -176.467 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.551 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 22.4 mt-30 -61.16 136.49 58.08 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.76 0.329 . . . . 0.0 110.979 -179.81 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.89 119.73 30.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.963 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -113.26 129.4 56.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.514 171.267 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.79 151.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.448 -179.316 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 71.3 t80 -92.61 109.95 21.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.374 -178.726 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.4 mt -104.74 -173.77 2.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.727 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 4.4 tmmm? -56.86 -37.36 71.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 109.814 174.41 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.18 9.91 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.732 -179.272 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.29 -154.15 21.33 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.676 177.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.487 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.1 m95 -80.67 128.9 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.896 0.379 . . . . 0.0 111.262 -175.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -135.16 137.63 42.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.98 128.65 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.798 176.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.27 133.78 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.269 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.25 146.42 25.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.469 ' HA ' HD12 ' A' ' 128' ' ' LEU . 87.8 p -63.21 -26.47 68.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -170.199 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.48 41.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.738 -174.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -101.61 141.99 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.042 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 60.48 -88.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.047 177.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.44 34.97 1.36 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.051 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.027 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 p -129.9 -155.79 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 -174.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.6 t -84.59 -12.92 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -101.98 125.79 48.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -63.57 137.51 58.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.394 -176.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -87.58 163.36 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -86.39 12.23 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.287 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -152.02 111.7 2.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.42 . . . . 0.0 111.431 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 68.3 Cg_endo -100.81 13.8 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.696 2.931 . . . . 0.0 112.43 175.013 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -81.76 33.88 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.366 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.6 -5.02 14.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 110.588 177.709 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.49 17.9 17.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 111.06 -177.689 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -55.72 -37.35 68.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.624 -178.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -64.26 -31.81 73.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.998 -179.181 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.08 -45.74 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.073 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.6 m -59.66 -40.52 87.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.118 175.368 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.264 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -65.19 -24.23 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.684 0.278 . . . . 0.0 111.552 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.68 4.86 53.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.939 0.4 . . . . 0.0 110.766 176.574 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 61.22 47.3 7.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.897 0.856 . . . . 0.0 110.32 179.734 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.9 m -117.45 -179.23 3.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.1 -139.47 5.31 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.424 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.39 151.89 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 55.6 Cg_endo -77.24 108.76 2.68 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.778 2.319 . . . . 0.0 111.709 174.106 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD12 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -77.9 -28.35 49.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.327 -177.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.3 m -149.51 147.29 28.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -177.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.691 ' HG ' HD11 ' A' ' 130' ' ' LEU . 1.9 tt -152.43 90.98 1.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -178.697 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.28 -155.44 15.94 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.755 -177.78 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.03 112.75 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.578 2.186 . . . . 0.0 111.879 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.832 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 52.3 t80 -106.94 -41.74 5.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.569 -179.252 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.606 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.0 mt -133.54 165.61 24.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 0.0 111.149 -177.132 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -118.61 43.84 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.668 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 m -68.92 -44.26 73.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -175.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 59.22 81.61 0.16 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 111.388 -179.36 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 m -106.65 88.26 3.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.918 176.472 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.98 51.5 3.66 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.975 2.45 . . . . 0.0 113.055 -172.457 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.659 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 63.4 tp60 -160.83 -43.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.171 177.245 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -90.48 -26.1 19.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -178.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -79.54 143.76 34.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.062 0.458 . . . . 0.0 110.635 -176.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.9 pt -124.02 151.13 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.7 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.34 124.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.236 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 60.7 m -99.66 145.86 27.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 -177.503 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -122.44 168.52 12.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 -176.315 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.12 -118.96 4.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.655 172.271 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.7 122.0 26.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.974 0.416 . . . . 0.0 111.944 -172.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.78 124.87 19.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.382 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -7.07 67.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 177.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.7 t -106.42 123.88 48.75 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.608 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -98.5 23.44 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.438 177.11 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HB2' ' H ' ' A' ' 26' ' ' LEU . 11.7 t -69.16 -24.06 64.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.633 -177.438 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -139.93 88.15 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 110.02 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 59.3 m -119.45 148.96 42.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.649 179.249 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.1 m -132.5 167.99 18.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.829 0.347 . . . . 0.0 111.043 -176.55 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.659 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 14.4 t-80 -62.69 131.02 47.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.014 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -63.91 104.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.867 -174.825 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -138.68 60.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.282 174.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -109.99 -176.78 3.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -59.85 -60.16 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.961 0.41 . . . . 0.0 111.041 -177.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.0 ptp -148.1 156.71 42.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -169.92 143.66 2.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 -174.66 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -116.66 164.68 14.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -174.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.456 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 9.5 m -66.47 122.45 17.58 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.347 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 61' ' ' SER . 22.1 tp -74.18 122.7 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.189 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.832 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.92 130.74 9.09 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.445 -178.09 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.691 HD11 ' HG ' ' A' ' 92' ' ' LEU . 51.5 tp -107.66 125.04 50.86 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.617 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -107.63 95.61 5.82 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -177.723 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 36.7 m -98.82 137.47 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.408 ' CD2' HD12 ' A' ' 90' ' ' LEU . 16.7 mt -61.3 117.5 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.822 179.046 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.433 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 43.2 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.581 170.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.624 ' NH1' ' HG ' ' A' ' 113' ' ' SER . 31.4 mtt-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.179 0.514 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.05 132.84 47.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.437 176.433 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 40.9 m -143.64 156.94 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.173 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.536 ' O ' ' HB2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -77.46 34.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 0.0 111.747 -179.702 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.9 m-85 -134.0 -2.93 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.676 173.632 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.6 138.16 58.74 Favored Pre-proline 0 C--O 1.232 0.169 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.027 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.01 -18.28 51.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.145 2.563 . . . . 0.0 113.167 -174.74 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -105.73 5.48 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -69.98 129.86 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.75 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.581 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.3 mt-30 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.494 -179.406 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 156.45 43.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 178.483 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HD2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -149.44 161.71 41.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.959 -179.763 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.0 mt -108.46 127.79 54.22 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.771 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 p -53.25 138.06 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.647 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -46.24 -38.3 8.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.827 0.704 . . . . 0.0 112.868 -169.502 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.647 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 36.2 t 45.41 -96.48 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.867 0.729 . . . . 0.0 111.611 175.034 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -132.78 -17.36 2.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.316 0.579 . . . . 0.0 109.533 173.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 11.4 t -151.94 141.81 22.01 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.656 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.28 0.05 20.68 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.633 ' HA ' HD12 ' A' ' 37' ' ' LEU . 32.7 m -124.15 23.99 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 110.059 172.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 9.5 tt0 -154.74 87.76 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.505 176.494 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.86 -167.48 32.86 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.113 -176.424 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HG3' HD12 ' A' ' 96' ' ' LEU . 21.5 mt-30 -69.28 137.84 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.313 . . . . 0.0 110.737 179.039 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.75 114.95 16.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.374 178.037 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 28.8 tt0 -119.11 122.79 42.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.749 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.45 150.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.756 -173.612 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.9 t80 -98.43 106.37 18.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.398 176.467 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 mt -111.78 -167.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.541 179.52 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -57.54 -28.03 63.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.208 0.528 . . . . 0.0 110.78 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.1 16.99 20.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.738 -176.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.81 -160.05 26.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.748 176.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -78.98 120.94 24.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.982 -179.208 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.83 142.79 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.059 178.313 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.0 mtp -71.84 140.01 49.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 178.388 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.5 t -92.32 125.6 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.0 0.429 . . . . 0.0 110.257 178.105 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 138.26 31.69 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' HA ' HD11 ' A' ' 128' ' ' LEU . 14.3 m -61.77 -21.01 64.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -171.412 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -85.3 59.14 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.241 0.543 . . . . 0.0 109.915 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.2 m -122.61 151.14 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.631 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.403 ' HB2' ' H ' ' A' ' 65' ' ' GLY . 3.4 m-90 59.07 -96.07 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.995 176.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -133.12 19.66 4.33 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.146 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.613 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 17.8 mmt180 -83.9 172.26 12.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.041 0.448 . . . . 0.0 110.318 -179.688 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 p -131.35 -159.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.564 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.551 ' C ' ' HG2' ' A' ' 94' ' ' PRO . 14.4 t -87.7 15.62 6.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -178.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -140.68 172.04 13.26 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -75.99 142.03 42.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.688 -175.098 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.613 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 22.6 m95 -108.14 171.73 7.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.25 171.493 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.417 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 26.8 tt0 -88.24 42.01 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.416 0.627 . . . . 0.0 110.747 -173.033 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.479 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 2.1 m-20 -133.34 62.19 58.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.141 178.094 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 1.3 Cg_endo -86.25 -32.78 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.827 2.351 . . . . 0.0 112.029 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.853 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.8 m -68.42 -12.51 61.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.711 -174.782 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -65.32 -19.87 66.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.697 178.54 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.7 27.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.898 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 t -50.62 -51.81 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.622 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 28' ' ' TRP . 5.1 mptp? -67.24 -23.19 65.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.57 -52.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.07 -35.44 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 109.93 176.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.066 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -62.95 -29.26 70.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 110.978 176.721 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD13 ' HG ' ' A' ' 37' ' ' LEU . 74.3 mt -92.61 2.66 56.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.693 179.583 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 57.66 37.96 27.52 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.874 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -109.11 176.49 5.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.142 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.82 -130.85 2.21 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.138 -176.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -74.64 150.52 86.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 111.694 -174.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.853 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.5 Cg_endo -84.62 105.09 0.99 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.233 2.622 . . . . 0.0 110.983 173.117 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -71.59 -49.24 42.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.414 -174.701 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.0 m -146.16 148.02 32.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -176.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.882 HD11 HD12 ' A' ' 130' ' ' LEU . 10.3 tt -149.47 117.04 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.55 -166.25 38.5 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.536 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.551 ' HG2' ' C ' ' A' ' 68' ' ' SER . 27.4 Cg_exo -64.52 95.93 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.855 2.37 . . . . 0.0 111.846 178.213 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -97.94 -33.03 11.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -176.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 81.2 mt -123.29 156.11 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.457 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 52.1 mtmt -120.65 52.9 1.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -177.549 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 m -92.38 -41.07 10.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.428 178.184 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.6 p90 37.82 72.63 0.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.098 0.959 . . . . 0.0 113.337 177.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 p -86.62 101.51 2.13 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.56 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 19.6 Cg_endo -57.71 -28.18 80.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.824 2.349 . . . . 0.0 113.345 -171.166 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -74.1 -44.59 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.2 m -91.61 -37.22 13.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.301 -175.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 18.6 m -82.15 127.37 33.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.134 -178.226 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.6 pt -109.99 151.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.181 0.515 . . . . 0.0 111.196 -177.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.6 mt -110.86 121.54 63.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.836 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.81 157.23 17.35 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.829 -174.651 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -130.03 161.86 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.52 -132.26 10.87 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.97 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.39 150.22 23.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -176.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.63 103.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 109.37 -1.5 31.01 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.42 179.242 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.624 ' HG ' ' NH1' ' A' ' 25' ' ' ARG . 22.9 t -84.39 100.28 11.19 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.126 0.489 . . . . 0.0 110.4 179.654 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -92.55 27.77 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.608 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.1 m -66.24 -55.02 18.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.231 -174.455 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -137.53 105.75 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.588 -179.219 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 8.0 m -114.51 156.02 25.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.437 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -117.99 167.47 11.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.042 0.449 . . . . 0.0 111.395 -175.606 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -59.34 141.32 54.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.455 175.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.56 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 29.9 t -62.88 108.53 1.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.574 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -126.94 49.79 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.781 -174.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' A' ' 125' ' ' CYS . 25.6 p-10 -130.23 -178.99 4.99 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.351 175.597 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.01 -52.52 7.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.928 0.394 . . . . 0.0 111.292 -175.847 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' A' ' 124' ' ' MET . 15.6 ptp -125.95 101.61 6.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.385 0.612 . . . . 0.0 111.113 -178.049 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.498 ' HB2' ' OD1' ' A' ' 122' ' ' ASN . 6.1 t -111.32 167.85 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.619 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.457 ' CD2' ' HG2' ' A' ' 97' ' ' LYS . 21.7 m170 -140.49 149.78 42.93 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.133 -0.354 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.599 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 13.4 m -73.13 124.78 26.26 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.513 HD21 ' HG ' ' A' ' 92' ' ' LEU . 6.7 tt -77.23 123.44 26.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.579 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.69 138.02 14.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.746 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.882 HD12 HD11 ' A' ' 92' ' ' LEU . 65.4 tp -121.17 135.92 55.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.32 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.7 m -116.88 103.98 10.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.806 178.259 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 33.7 m -104.14 134.91 46.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.432 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.439 ' CD2' HD11 ' A' ' 90' ' ' LEU . 41.2 mt -60.84 124.81 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.428 0.156 . . . . 0.0 110.903 177.846 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.765 175.459 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -108.96 116.52 32.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.845 0.355 . . . . 0.0 110.051 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 t -142.61 150.63 40.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.02 23.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -111.41 -11.12 14.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 0.0 110.488 173.334 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.22 130.58 41.49 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.162 -178.688 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.62 -7.88 22.17 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.944 2.429 . . . . 0.0 112.435 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.68 -25.81 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 174.098 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -75.05 137.57 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.869 -177.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.855 ' HA ' HE21 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -119.72 133.98 55.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.731 0.3 . . . . 0.0 110.471 -178.15 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 153.54 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 143.85 28.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -176.786 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.5 mt -97.06 140.42 31.6 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 HG21 HE21 ' A' ' 47' ' ' GLN . 81.4 p -71.13 162.67 29.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.213 177.571 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.34 -72.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.453 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 t 59.78 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.59 0.556 . . . . 0.0 111.141 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -110.48 -44.99 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 109.721 178.636 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.472 ' HG ' ' CD ' ' A' ' 134' ' ' GLU . 9.6 t -171.28 163.13 7.02 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.607 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.11 -18.58 63.57 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -166.507 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 87.7 m -97.15 3.71 51.49 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.612 -0.435 . . . . 0.0 112.086 -178.736 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 3.6 pt20 -152.46 102.17 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.671 0.748 . . . . 0.0 111.2 177.129 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.27 -165.29 20.16 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.997 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.47 HE21 HG21 ' A' ' 38' ' ' THR . 22.4 mt-30 -76.68 133.49 39.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.891 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.08 111.82 18.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -110.26 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 172.534 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.81 152.96 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 -177.171 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -94.08 118.22 31.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.963 -178.242 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.73 176.74 5.06 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.216 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 2.5 tmtp? -59.2 -37.23 76.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -173.588 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -99.36 19.35 15.69 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.09 -173.55 19.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.8 172.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.47 140.53 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -178.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -138.71 144.66 39.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.536 -178.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.5 mtp -81.81 133.94 35.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.016 178.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.82 116.74 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.092 0.472 . . . . 0.0 109.931 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 62' ' ' GLN . 43.5 t -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 80.3 p -79.24 39.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -175.753 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' H ' ' C ' ' A' ' 60' ' ' CYS . 20.2 tp60 -118.46 21.63 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.34 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.0 m -99.0 147.54 24.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.166 -175.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.447 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 3.3 m-90 58.81 -87.5 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 111.957 177.005 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.05 29.2 2.75 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.184 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -109.32 150.72 27.58 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.651 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.6 p -148.55 -82.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.263 0.554 . . . . 0.0 110.523 176.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -130.92 0.34 4.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.696 0.76 . . . . 0.0 109.482 176.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -110.66 144.4 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.456 -177.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -81.69 139.32 34.99 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.448 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -91.42 164.5 13.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.375 -168.787 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.4 -53.76 54.49 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.504 0.502 . . . . 0.0 112.32 -175.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -112.64 104.92 56.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.381 . . . . 0.0 111.288 -175.112 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -93.45 -6.44 2.62 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.944 2.43 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.87 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 33.1 m -85.04 44.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 111.67 -173.597 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -103.25 -19.28 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.817 174.425 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.39 20.67 11.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.863 -178.828 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -54.97 -42.47 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.709 -178.204 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.855 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -61.62 -37.3 83.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.024 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.42 -55.18 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.152 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 57.9 m -57.93 -44.91 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 -179.83 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.65 -46.46 88.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -177.302 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.571 ' NE ' ' HA ' ' A' ' 83' ' ' ARG . 4.4 mmp_? -76.32 -19.48 58.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.508 -178.61 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -86.85 10.05 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 177.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.2 t30 68.67 45.18 1.08 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.134 0.968 . . . . 0.0 110.382 179.202 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 80.1 m -135.44 176.19 8.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.466 176.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.83 -157.34 26.47 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.676 -179.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.4 m-20 -55.43 150.21 24.87 Favored Pre-proline 0 N--CA 1.468 0.454 0 C-N-CA 122.692 0.397 . . . . 0.0 112.016 -176.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.87 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 8.8 Cg_endo -85.11 104.31 0.86 Allowed 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.297 2.665 . . . . 0.0 111.877 177.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.484 HD13 HD22 ' A' ' 133' ' ' LEU . 92.6 mt -68.84 -38.59 79.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.199 -178.584 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -147.75 154.29 40.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 -177.354 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 tt -156.03 99.39 1.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.16 -162.32 27.32 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.638 -177.648 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.03 107.22 0.75 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.431 2.087 . . . . 0.0 112.025 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.822 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.8 t80 -93.69 -40.52 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.204 -177.584 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -139.66 163.94 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.53 -178.091 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -111.0 58.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 m -79.49 -29.36 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.647 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 68.38 -76.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.52 -179.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m 46.05 72.28 1.29 Allowed Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.463 0.477 . . . . 0.0 110.758 -173.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.44 46.92 1.5 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.383 2.722 . . . . 0.0 113.03 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -139.84 -38.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.006 177.17 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.3 m -105.31 -11.27 16.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.464 -177.012 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.0 p -83.77 127.76 34.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.649 . . . . 0.0 111.705 -175.245 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.8 pt -116.96 155.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.124 179.048 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.87 131.32 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.277 176.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.85 147.67 31.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.428 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -117.44 154.48 31.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.017 -172.442 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.5 -123.42 6.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.184 -0.531 . . . . 0.0 114.079 171.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 110' ' ' GLN . 10.5 mt-30 -71.61 119.41 15.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.544 . . . . 0.0 112.353 -172.867 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 64' ' ' TRP . 4.8 tt -61.01 118.78 7.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.045 178.036 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.28 -15.98 15.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.665 177.404 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -97.77 135.73 39.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.095 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.477 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 88.5 m-85 -118.69 24.07 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.766 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.0 m -79.77 -43.76 21.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.964 0.412 . . . . 0.0 110.859 -176.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -114.9 65.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.169 0.509 . . . . 0.0 111.131 -177.802 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 19.3 m -101.05 159.04 15.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.507 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.8 m -144.21 166.01 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.644 0.259 . . . . 0.0 110.651 -178.599 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -72.84 140.93 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.4 t -60.02 113.45 2.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 -177.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -118.09 27.65 8.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.03 172.76 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 178.661 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.41 -64.48 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -173.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -101.44 155.97 17.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 111.92 -172.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 32.3 t -153.83 143.3 21.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.34 176.556 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.431 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 33.3 m170 -126.1 146.88 49.75 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -83.4 118.66 23.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -177.31 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.27 123.74 24.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 -177.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.822 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -109.61 126.85 8.19 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 178.002 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 51.0 tp -103.34 117.88 35.5 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 178.578 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.9 m -104.24 95.83 6.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.723 0.297 . . . . 0.0 110.915 -177.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 81' ' ' CYS . 4.4 m -98.09 148.07 23.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.8 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.484 HD22 HD13 ' A' ' 90' ' ' LEU . 66.0 mt -56.59 139.46 49.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.601 176.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.495 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.6 -177.439 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.966 0.412 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.89 81.71 1.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.753 176.515 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' TYR . 11.4 m -83.85 138.24 33.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.114 -178.138 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.04 13.82 0.62 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.449 0.643 . . . . 0.0 110.778 176.882 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.68 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 2.9 t80 -115.43 5.29 14.49 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.322 178.89 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 33.2 m-20 -90.7 136.67 27.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.261 178.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 28.1 Cg_exo -62.89 -16.21 52.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.336 2.691 . . . . 0.0 112.778 -178.38 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -100.38 -2.09 34.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.707 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.72 132.73 46.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.161 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.88 120.99 41.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 111.209 -177.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.21 151.41 38.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.946 177.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.747 ' NH1' HH12 ' A' ' 39' ' ' ARG . 0.1 OUTLIER -143.71 157.78 44.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.654 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.2 mt -107.85 120.2 41.6 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 178.47 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.527 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 4.3 m -54.36 115.22 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.634 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.747 HH12 ' NH1' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -47.18 -74.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.969 0.793 . . . . 0.0 112.506 -166.89 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t 65.62 -68.12 0.12 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.021 0.439 . . . . 0.0 110.482 -176.554 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -120.48 -35.88 3.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.819 -179.261 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 t -151.64 161.38 42.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.631 -175.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -88.12 5.06 43.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.276 0.56 . . . . 0.0 109.736 177.129 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -119.74 -1.85 10.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.041 178.784 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.65 119.59 7.65 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.15 -151.05 11.61 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.797 -179.297 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.527 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 56.3 mt-30 -86.85 147.49 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.16 108.96 18.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.006 0.432 . . . . 0.0 111.11 -177.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -112.68 133.64 54.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.482 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.01 152.22 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.666 -177.818 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -103.25 102.92 12.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 mt -104.46 -169.38 1.61 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.09 -22.48 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 110.489 -179.505 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.99 0.51 47.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.7 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.43 -161.74 14.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.721 175.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.76 125.82 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.833 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -142.35 145.77 34.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.215 0.531 . . . . 0.0 111.157 179.062 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.483 ' HE3' ' OE1' ' A' ' 47' ' ' GLN . 42.4 mtp -75.83 140.84 42.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.114 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.21 127.23 41.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.937 0.399 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.7 134.27 39.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 87.7 p -78.37 51.62 1.05 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.036 0.446 . . . . 0.0 111.374 -177.422 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.687 ' HG2' ' HE1' ' A' ' 124' ' ' MET . 22.7 tp60 -151.49 31.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.666 0.746 . . . . 0.0 109.114 177.039 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -95.23 143.94 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.327 -172.473 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.499 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 3.7 m-90 58.38 -89.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.733 179.112 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -138.95 26.55 2.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.115 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 21.7 mmt180 -100.98 116.62 33.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 69' ' ' LYS . 6.5 m -75.74 173.49 11.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.926 -179.394 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -78.62 44.99 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.376 0.607 . . . . 0.0 110.345 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 67' ' ' SER . 56.6 mtpt -142.85 152.72 42.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.59 107.37 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.585 0.707 . . . . 0.0 109.817 178.156 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 145.68 42.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.287 -175.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -82.97 41.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.194 0.521 . . . . 0.0 110.533 -177.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -152.53 68.04 6.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.18 0.514 . . . . 0.0 110.809 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.83 -12.58 4.26 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 179.559 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 m -64.95 -16.9 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.187 -174.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -71.66 -14.83 62.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.972 0.415 . . . . 0.0 110.342 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.48 10.37 41.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -177.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.451 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 49.3 m -56.76 -38.22 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.611 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.68 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -61.97 -32.02 72.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.888 -179.633 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.76 -49.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 110.274 178.249 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 77.5 m -61.06 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.07 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.4 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 3.2 tmt_? -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.94 4.0 54.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.502 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.86 43.69 5.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.73 0.776 . . . . 0.0 110.917 -178.247 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.5 m -117.69 167.22 11.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 175.445 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.0 49.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.082 178.29 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.44 150.62 23.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.06 0.457 . . . . 0.0 111.945 -175.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 56.0 Cg_endo -73.53 127.12 11.46 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.142 2.561 . . . . 0.0 113.161 -176.558 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD13 HD22 ' A' ' 133' ' ' LEU . 95.2 mt -84.04 -45.21 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -145.93 152.49 39.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -176.32 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.851 HD13 HD12 ' A' ' 130' ' ' LEU . 25.3 tp -151.28 139.11 19.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.284 -177.227 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 -157.13 26.51 Favored Glycine 0 C--O 1.227 -0.295 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.014 177.198 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.13 101.02 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.816 2.344 . . . . 0.0 112.133 -179.655 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.53 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 6.7 m-85 -101.74 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.484 -175.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 68.4 mt -100.7 168.84 9.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.626 -175.225 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 2.5 mptp? -125.21 64.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 -173.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -77.24 -37.93 52.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.387 178.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 69.5 m-85 46.46 72.64 0.22 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.603 0.564 . . . . 0.0 111.812 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.0 m -133.1 91.91 26.87 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.44 178.652 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.5 66.43 2.21 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.271 2.647 . . . . 0.0 111.432 178.257 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 34.7 tt0 -163.63 -54.6 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.268 -178.125 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 m -85.5 -10.38 56.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.639 178.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 p -110.26 151.66 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.69 157.5 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.781 178.733 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.3 tt -123.61 127.58 74.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.179 0.514 . . . . 0.0 109.696 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.4 m -98.92 142.04 30.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.945 0.403 . . . . 0.0 111.262 -173.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -121.76 170.41 9.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 178.085 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.79 -133.46 11.41 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.759 179.186 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -94.48 134.58 36.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 -175.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.96 114.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.622 -178.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.64 -8.64 28.08 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.902 176.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -98.87 109.9 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.124 0.487 . . . . 0.0 110.935 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.499 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 62.2 m-85 -96.69 22.63 7.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.052 175.74 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.5 m -59.76 -43.43 94.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.605 -175.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -148.23 100.27 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.202 0.525 . . . . 0.0 110.518 179.266 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.9 157.31 16.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.696 178.238 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.7 t -109.66 156.56 20.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.729 -176.017 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 26.1 t-80 -73.01 135.7 44.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.215 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.6 m -61.32 116.89 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.186 0.304 . . . . 0.0 110.961 -177.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -95.23 7.85 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.727 -176.551 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 124' ' ' MET . 24.9 p-10 -141.75 163.55 32.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.105 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.1 4.86 53.22 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.687 ' HE1' ' HG2' ' A' ' 62' ' ' GLN . 22.6 ptt? -95.21 18.92 11.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.092 -175.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.84 95.43 4.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.669 0.747 . . . . 0.0 111.61 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.468 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 76.2 m80 -73.87 149.53 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.966 174.663 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.491 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 8.5 m -73.79 110.26 7.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.02 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.2 tt -66.83 119.63 12.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.965 -177.069 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -106.08 144.71 15.85 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.906 -178.745 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.851 HD12 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -131.84 118.18 19.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.88 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.7 m -104.06 99.55 9.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.598 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 59.0 m -85.86 154.97 21.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.107 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.481 HD22 HD13 ' A' ' 90' ' ' LEU . 21.2 mt -64.08 102.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 0.0 110.272 175.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.179 -178.517 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.197 0.522 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -116.83 69.61 0.76 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.395 172.399 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.603 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 18.1 m -89.82 148.89 22.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.0 110.338 -176.77 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.508 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -73.2 18.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.764 178.208 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 27' ' ' SER . 6.1 t80 -120.91 2.08 10.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.874 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -90.82 145.5 32.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.42 -21.77 60.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 123.342 2.695 . . . . 0.0 112.891 -178.255 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -99.26 14.79 28.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.853 0.358 . . . . 0.0 111.268 -177.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -84.02 129.05 34.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.841 0.353 . . . . 0.0 110.166 178.169 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.5 mt-30 -116.48 126.28 53.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.464 -177.48 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.551 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -158.13 160.3 37.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.354 -177.868 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -141.53 170.49 15.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.76 176.323 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.0 mt -121.0 46.56 2.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.125 -176.516 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.645 HG21 HE21 ' A' ' 47' ' ' GLN . 71.9 p 45.86 -158.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.388 176.435 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -127.4 41.41 3.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.526 178.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.374 -171.775 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -157.04 -40.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 -177.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -138.26 153.27 49.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.68 -13.89 62.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.385 -173.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 10.2 t -122.57 22.32 9.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 178.381 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -147.87 104.81 3.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.79 -146.5 8.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.88 -178.481 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.645 HE21 HG21 ' A' ' 38' ' ' THR . 22.5 mt-30 -83.59 135.57 34.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 -176.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.7 tp -78.19 105.41 9.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.145 0.498 . . . . 0.0 110.898 -179.18 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.17 125.82 51.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.162 173.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -109.13 150.79 11.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.444 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 76.6 t80 -99.82 101.78 13.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.916 178.651 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 114' ' ' PHE . 78.3 mt -102.26 -165.04 1.14 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 179.086 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -30.72 71.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -176.276 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -57.36 3.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.574 174.657 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.24 -144.61 9.56 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 178.293 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.551 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.8 m95 -82.78 125.03 30.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.698 0.285 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -140.05 146.42 38.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.9 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.0 mtp -78.18 132.42 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.505 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.75 126.53 40.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.869 0.366 . . . . 0.0 110.631 179.186 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.7 t -80.95 137.53 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -77.42 8.44 4.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.188 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.495 ' HG2' ' HE2' ' A' ' 124' ' ' MET . 40.4 tp60 -110.17 36.8 2.91 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.712 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m -105.16 160.35 15.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.027 -175.06 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 62.37 -89.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.751 175.833 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.77 22.44 1.98 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 177.881 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HD2' ' CE2' ' A' ' 71' ' ' TRP . 85.3 mmt-85 -112.4 143.73 43.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 -176.676 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.0 m -97.85 161.71 13.61 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.112 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.459 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 5.4 t -69.29 78.98 0.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 -179.185 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -148.71 157.45 43.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -79.28 109.22 13.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 -178.401 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 87.7 m95 -91.36 169.44 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.764 -177.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.94 24.71 10.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.818 -170.385 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -144.16 86.22 8.48 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.961 0.41 . . . . 0.0 110.695 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.13 -10.84 5.57 Favored 'Trans proline' 0 N--CA 1.452 -0.971 0 C-N-CA 122.149 1.9 . . . . 0.0 111.824 174.341 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.608 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 21.1 p -73.62 -1.38 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.016 -174.746 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.2 -19.35 61.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.046 0.451 . . . . 0.0 110.518 174.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.74 22.41 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -174.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -58.09 -36.07 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.658 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 57.0 tptt -65.72 -29.36 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.67 -47.21 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.168 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.06 -39.08 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.602 177.074 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.3 -35.44 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.689 178.4 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -67.77 -23.03 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 177.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.21 9.18 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.114 177.204 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.16 48.16 15.82 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.101 -179.269 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.7 m -117.42 178.4 4.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.685 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.07 -151.91 8.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.096 178.001 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -77.1 151.55 81.67 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-O 121.06 0.457 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 43.1 Cg_endo -74.46 119.77 5.91 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.867 2.378 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.81 -48.52 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.319 -175.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -145.11 152.37 39.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -176.764 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.845 HD12 HD13 ' A' ' 130' ' ' LEU . 9.6 tt -147.26 137.8 23.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.119 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.16 -152.48 23.51 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.813 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.49 96.33 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 111.623 176.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.957 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 55.0 t80 -82.9 -41.59 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -176.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.526 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 77.3 mt -136.87 151.05 48.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.266 0.555 . . . . 0.0 111.312 -177.663 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -102.88 47.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.67 177.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.7 m -77.39 -34.55 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.605 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 98.4 m-85 68.94 -73.44 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.961 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m 42.02 73.71 0.86 Allowed Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 123.443 0.697 . . . . 0.0 112.294 -177.635 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.77 64.47 3.14 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.537 2.158 . . . . 0.0 111.801 178.645 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -166.48 -31.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.705 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 m -107.57 -8.52 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 178.694 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 p -94.59 149.75 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 0.0 110.734 -178.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.3 147.79 32.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.9 mt -111.27 118.88 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -100.76 161.69 13.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.244 -177.559 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -126.31 157.12 39.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.196 -175.185 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.25 -141.2 15.22 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.305 175.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.3 147.11 34.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -176.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.41 112.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.213 -176.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 104.59 -4.31 43.16 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.851 177.281 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.1 t -88.01 106.93 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.955 0.378 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.6 m-85 -98.67 26.08 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 178.502 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 m -67.15 -26.9 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.824 -175.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -155.97 94.05 1.5 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.985 0.421 . . . . 0.0 110.038 -178.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 52.2 m -106.63 153.53 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 -179.11 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -112.91 133.27 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 110.521 -177.297 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -84.58 100.85 11.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.308 175.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 m -111.96 141.5 45.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.878 178.203 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -108.85 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.013 0.435 . . . . 0.0 110.805 -178.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -110.25 153.02 25.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.545 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.04 34.54 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.104 -169.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.495 ' HE2' ' HG2' ' A' ' 62' ' ' GLN . 19.3 ptt? -121.3 14.49 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 176.855 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 6.9 m -95.7 117.09 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.601 -179.522 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.459 ' HB2' ' OG ' ' A' ' 68' ' ' SER . 33.1 m80 -94.22 143.97 25.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.882 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 m -61.17 116.95 4.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 -179.416 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.74 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.166 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.957 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.54 148.81 16.86 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.489 -176.84 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.845 HD13 HD12 ' A' ' 92' ' ' LEU . 62.4 tp -131.55 124.34 29.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.003 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.0 m -104.41 96.86 6.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.36 178.441 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 60.7 m -86.48 145.34 26.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.3 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.02 105.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 178.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.099 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 25' ' ' ARG . 9.3 mmm180 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.083 0.468 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 53' ' ' LYS . 95.7 mt -134.55 88.17 2.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.946 177.174 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -154.31 150.03 27.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.158 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.95 0.4 7.45 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.488 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -91.34 -17.79 25.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -178.923 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.48 146.26 65.4 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 -177.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.28 -15.4 31.55 Favored 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 123.309 2.673 . . . . 0.0 113.458 -174.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -110.65 20.51 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.46 -179.164 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -99.25 124.36 44.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.658 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -106.75 141.85 37.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.883 0.373 . . . . 0.0 111.273 -177.002 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.88 154.23 38.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.167 178.621 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.625 ' HA ' HD23 ' A' ' 84' ' ' LEU . 5.5 ptp180 -144.63 169.01 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.6 mt -117.31 136.43 53.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.254 174.095 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 p -62.84 155.99 25.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.815 -177.648 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -68.09 64.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.886 -179.733 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 t -79.14 -60.96 2.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.113 178.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -144.36 -74.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 109.751 178.671 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 48.3 t -105.44 163.8 12.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.033 177.579 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -72.92 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.455 -178.613 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.9 m -102.69 11.49 37.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.491 -178.164 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 20.1 pt20 -152.89 131.65 12.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.039 0.447 . . . . 0.0 111.399 -179.697 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.46 -154.93 25.96 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.342 178.022 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.644 ' HG3' HD12 ' A' ' 96' ' ' LEU . 92.7 mt-30 -88.87 133.84 34.15 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.586 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 tp -80.69 116.94 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -111.11 135.71 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.831 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.94 152.05 22.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -177.606 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -93.74 106.76 18.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 178.583 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 105' ' ' ILE . 50.0 mt -99.21 -168.92 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.648 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.0 mttt -63.75 -36.68 84.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.386 177.724 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -51.09 10.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.187 178.083 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.62 -147.43 12.02 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.513 177.46 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -86.6 121.8 29.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -177.365 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -136.14 143.15 44.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.629 179.447 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.8 ttp -80.29 133.38 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.363 -179.033 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.18 132.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 -177.485 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -86.22 134.26 33.79 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.012 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.466 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 8.6 p -78.51 20.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.074 0.464 . . . . 0.0 111.71 -176.023 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -110.82 33.36 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.0 0.905 . . . . 0.0 108.727 174.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -108.52 157.06 18.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.108 -175.836 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 60.55 -89.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.15 0.906 . . . . 0.0 111.764 176.45 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.16 1.18 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.819 179.285 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -104.18 121.27 42.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.815 -179.175 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -89.46 176.51 6.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.682 175.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 m -77.43 61.72 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.153 0.501 . . . . 0.0 110.621 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -164.49 155.17 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.711 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.26 110.11 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -76.91 159.97 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -178.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.67 53.65 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.086 0.469 . . . . 0.0 111.376 -173.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -175.19 78.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.229 171.761 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.01 -4.0 4.56 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.697 2.265 . . . . 0.0 112.098 177.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.81 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.4 m -64.87 -12.32 47.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.391 -174.72 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -63.32 -19.82 64.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.637 0.256 . . . . 0.0 111.456 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.45 19.35 15.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 111.255 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.7 p -55.62 -46.49 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.452 -179.701 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.42 -31.3 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 -179.249 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.03 -48.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.185 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.4 m -62.64 -37.69 87.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.062 177.533 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.53 -40.64 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.394 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -60.65 -33.81 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.946 176.351 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' A' ' 36' ' ' ARG . 80.3 mt -87.7 6.83 32.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.469 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.28 43.95 4.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.701 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.3 m -117.48 -176.53 3.03 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.899 178.014 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.13 -150.8 27.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.206 179.154 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.25 149.14 97.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 111.526 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.81 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 59.5 Cg_endo -80.39 123.47 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.012 2.474 . . . . 0.0 112.639 179.197 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.87 -46.91 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.954 -177.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 m -133.98 143.22 48.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.003 -175.267 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.98 99.49 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.08 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.87 -153.49 9.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.028 -177.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.47 83.53 2.21 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.883 2.389 . . . . 0.0 112.777 -178.307 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 1.01 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 83.4 m-85 -112.74 136.63 52.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.644 HD12 ' HG3' ' A' ' 47' ' ' GLN . 87.6 mt 67.26 167.61 0.24 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.771 0.669 . . . . 0.0 110.996 -176.562 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.436 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 63.2 mttp -142.29 126.91 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -177.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 m -126.46 -41.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 110.329 175.154 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 67.9 m-85 61.81 14.53 6.31 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.05 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -87.62 108.79 22.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 178.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.37 -6.63 18.03 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.945 2.43 . . . . 0.0 112.483 -176.514 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -84.21 -22.06 31.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.097 178.754 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 m -108.97 -36.65 6.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.878 -178.127 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -84.17 150.75 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.084 -175.482 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.531 HD12 HD12 ' A' ' 52' ' ' LEU . 36.3 pt -130.05 147.82 33.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.963 177.788 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.467 HG13 ' HG ' ' A' ' 120' ' ' SER . 24.6 mt -112.3 126.55 69.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 173.253 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.0 t -112.64 148.37 34.77 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.742 -175.065 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.35 164.05 12.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.259 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.9 -148.66 17.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.315 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -82.71 142.53 31.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.523 0.329 . . . . 0.0 110.912 -176.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.24 105.7 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.581 -179.47 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 -17.45 7.28 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.178 -178.319 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.3 t -91.02 123.13 34.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.0 110.702 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 90.8 m-85 -114.39 26.57 10.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.186 -179.476 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -84.41 -14.16 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.37 -176.304 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -140.2 75.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.182 179.359 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.562 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 10.1 m -113.06 151.54 30.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.781 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.2 p -136.06 165.63 25.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.932 0.396 . . . . 0.0 110.647 -179.182 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.76 138.58 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.09 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.467 ' HG ' HG13 ' A' ' 106' ' ' ILE . 8.4 m -67.24 103.18 1.18 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.691 -175.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -87.71 34.04 0.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.428 0.632 . . . . 0.0 110.317 174.867 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -143.8 148.76 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.36 -179.184 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -94.41 63.6 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.906 0.86 . . . . 0.0 111.008 -172.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -164.13 123.56 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.892 171.42 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.1 t -165.55 130.26 2.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 0.0 111.015 -177.52 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -111.32 132.71 54.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.48 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 47' ' ' GLN . 3.3 p -68.12 140.15 56.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.169 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 1.01 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -91.59 113.25 4.3 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.684 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' A' ' 37' ' ' LEU . 45.0 tp -105.66 131.71 52.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.909 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.9 m -124.33 105.99 9.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.005 178.159 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.1 m -105.68 154.64 20.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 -178.56 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.0 mt -64.46 141.59 58.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.275 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.872 -179.366 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.784 0.326 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt -96.62 61.94 1.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.062 0.458 . . . . 0.0 110.435 175.107 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.0 m -90.3 142.41 27.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.262 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.659 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -79.02 18.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 111.491 -176.62 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -105.63 -13.99 15.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.767 173.056 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -77.57 137.09 63.35 Favored Pre-proline 0 C--O 1.231 0.112 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -176.497 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -48.24 -50.18 12.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.297 2.665 . . . . 0.0 113.655 -172.409 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.02 12.33 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.024 -171.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 91.8 t80 -67.15 113.47 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.868 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.9 121.72 41.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.223 0.535 . . . . 0.0 111.073 -175.735 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.57 148.99 43.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.28 175.947 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.33 159.14 41.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.909 0.385 . . . . 0.0 110.095 -178.498 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 130' ' ' LEU . 86.9 mt -111.93 138.62 48.31 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.301 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 61.7 p -60.8 155.68 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.315 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.688 ' NH1' ' HZ3' ' A' ' 43' ' ' LYS . 18.3 mmm180 -53.97 -55.41 27.37 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.162 0.288 . . . . 0.0 110.67 -175.26 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 53.65 -95.21 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.901 0.751 . . . . 0.0 112.296 173.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -136.88 -24.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.751 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 39.4 t -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.359 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.688 ' HZ3' ' NH1' ' A' ' 39' ' ' ARG . 27.8 mmmt -77.71 11.42 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -173.714 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 1.0 OUTLIER -145.19 22.47 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.339 179.381 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.751 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 10.1 pt20 -155.28 112.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.403 0.62 . . . . 0.0 110.625 176.203 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.12 -161.08 28.49 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.385 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.5 mp0 -73.47 141.99 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.86 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -89.3 109.64 20.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 0.0 110.795 -177.081 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.8 120.69 43.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.408 174.067 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.53 152.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -176.749 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -89.53 104.65 17.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.379 179.314 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.596 HD12 HD13 ' A' ' 105' ' ' ILE . 90.1 mt -85.55 177.99 7.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.1 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.47 48.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.565 0.698 . . . . 0.0 110.237 -178.029 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -167.33 -36.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.528 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.01 -168.89 42.02 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.027 177.621 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -86.39 131.66 34.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.723 0.297 . . . . 0.0 110.286 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -140.11 141.9 36.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 -179.318 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.41 ' HG3' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptm -80.22 136.77 36.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.763 -179.657 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -84.86 143.54 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.59 145.25 31.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.139 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 68' ' ' SER . 92.8 p -81.31 56.27 2.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.197 0.523 . . . . 0.0 111.201 -175.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -156.0 46.96 0.47 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.298 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 m -120.14 161.76 20.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.236 -175.554 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.12 31.04 20.95 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.471 0.482 . . . . 0.0 112.28 175.489 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 27.5 73.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.451 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -104.81 146.02 29.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.98 0.419 . . . . 0.0 110.519 178.43 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.1 m -74.45 171.22 14.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.277 -178.79 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 61' ' ' SER . 19.8 m -77.98 -5.94 52.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.216 -176.318 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -95.31 149.22 21.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 175.339 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.09 115.62 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 -176.456 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.9 p90 -77.45 166.85 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.607 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.05 27.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.093 -171.66 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.1 65.09 68.42 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -177.163 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -92.34 -13.3 1.59 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.687 2.258 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.783 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 12.4 p -75.43 7.17 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.105 -175.864 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -82.62 -19.31 38.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.159 0.504 . . . . 0.0 110.188 178.731 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.13 14.48 23.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.338 -175.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 43.7 m -53.54 -36.71 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.288 179.522 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.83 -37.78 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.822 -178.524 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.55 -47.39 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.814 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 23.4 m -59.89 -41.98 92.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.156 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 78' ' ' SER . 98.6 mt-30 -62.36 -43.02 99.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.166 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -73.91 -13.89 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.471 -178.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.29 10.08 35.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.611 172.37 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 62.41 38.74 12.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.335 -178.895 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.64 174.96 5.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.109 178.323 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.81 -109.52 0.85 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.185 -177.041 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.16 153.68 37.89 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 -174.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.783 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.3 Cg_endo -82.25 104.99 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.646 2.23 . . . . 0.0 111.483 175.269 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.96 -36.98 75.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.414 -176.266 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.9 m -154.74 149.48 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.138 -178.541 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.802 HD11 HD13 ' A' ' 130' ' ' LEU . 9.1 tt -148.59 117.73 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.075 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.74 -143.95 10.73 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.03 99.56 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.191 1.928 . . . . 0.0 111.763 178.253 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 75.2 t80 -97.63 -56.51 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.13 -178.367 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 30.6 mt -129.61 -178.76 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.028 178.425 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 61.2 mttp -123.76 57.36 1.19 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.15 0.5 . . . . 0.0 110.25 -175.793 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -67.48 -46.33 73.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.457 178.694 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 39.5 m-85 53.15 82.82 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.879 179.333 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 m -109.0 86.98 4.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 7.8 Cg_exo -73.39 53.27 2.57 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.455 2.77 . . . . 0.0 112.778 -174.474 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -156.73 -59.9 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.302 176.123 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -82.86 -12.37 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -177.342 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 27.2 t -69.84 139.44 53.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.596 HD13 HD12 ' A' ' 52' ' ' LEU . 31.6 pt -123.57 129.63 74.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.293 0.568 . . . . 0.0 111.671 -177.306 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.0 mt -96.82 119.23 44.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 167.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.674 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 6.4 t -109.72 136.57 48.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.126 0.489 . . . . 0.0 110.848 -174.686 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -105.28 149.91 25.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.102 -178.631 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.82 -139.49 10.78 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.144 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.93 ' HA ' HE21 ' A' ' 110' ' ' GLN . 0.0 OUTLIER -109.86 134.66 51.82 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.826 -0.22 . . . . 0.0 110.699 -178.688 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.95 103.22 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.932 0.77 . . . . 0.0 110.796 177.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.659 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 134.01 -20.94 3.98 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.337 -177.104 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 9.5 t -127.04 126.05 42.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 -178.221 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -90.51 71.93 6.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 0.0 109.378 176.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -82.83 -59.84 2.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.421 -176.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -117.45 78.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.574 -173.515 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.674 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 23.6 m -96.6 132.34 42.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 -177.667 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.8 m -111.54 138.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.134 0.492 . . . . 0.0 111.549 -176.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.74 ' HD1' ' NH1' ' A' ' 121' ' ' ARG . 3.4 t-80 -71.65 110.68 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.0 m -112.81 132.21 55.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.251 0.548 . . . . 0.0 112.206 -168.115 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.74 ' NH1' ' HD1' ' A' ' 119' ' ' HIS . 9.5 mpt_? -99.53 46.56 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.644 175.567 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -109.96 144.93 37.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.18 0.514 . . . . 0.0 111.927 -174.061 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.28 4.63 10.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.122 173.003 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mtt -80.33 -8.28 59.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.448 0.642 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.52 146.41 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -90.92 155.34 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.956 0.408 . . . . 0.0 110.388 -173.736 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -73.78 122.55 22.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.713 -177.615 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' ' 61' ' ' SER . 8.2 tt -82.29 125.83 31.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.279 0.562 . . . . 0.0 110.506 -176.297 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -124.78 158.61 19.33 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.792 177.216 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.802 HD13 HD11 ' A' ' 92' ' ' LEU . 58.1 tp -121.99 126.19 48.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.551 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 m -108.44 101.73 10.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.297 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.6 m -102.45 134.25 46.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.804 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.02 111.22 2.77 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.689 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.249 -179.287 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.67 0.271 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -141.92 94.43 2.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.244 178.949 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -119.52 153.03 35.99 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.423 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -74.22 12.27 0.77 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.757 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -109.76 -6.15 15.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.984 0.421 . . . . 0.0 109.997 177.443 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -75.54 141.79 73.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 -178.889 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.58 -50.62 13.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.732 2.288 . . . . 0.0 112.774 -172.427 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -97.11 20.26 11.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.948 -172.335 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 60.1 t80 -64.74 129.71 40.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.881 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.591 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 31.1 mm-40 -103.66 116.69 32.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -175.72 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.35 154.42 40.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.169 178.71 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -152.99 164.0 38.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.402 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -110.21 61.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.94 0.4 . . . . 0.0 110.441 178.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.487 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 74.0 p 47.69 -163.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.283 178.651 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -104.84 39.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.505 176.23 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 p -59.59 -73.38 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.933 -174.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -170.38 -61.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.307 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 26.7 t -100.77 151.54 21.56 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.299 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.894 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -88.23 9.51 22.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.796 0.332 . . . . 0.0 110.512 -179.111 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.6 m -120.07 12.92 12.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.985 176.605 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -153.37 138.9 17.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.452 173.346 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.77 -151.32 23.51 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.903 178.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.432 ' HB2' HG21 ' A' ' 38' ' ' THR . 24.9 mp0 -102.13 136.45 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.717 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 tp -78.95 113.04 16.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.534 -175.045 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' OE1' ' HA ' ' A' ' 38' ' ' THR . 48.8 mt-10 -106.4 136.77 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.209 171.27 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.85 153.13 29.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.072 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.8 t80 -95.47 109.8 21.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.436 178.795 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -95.93 -175.58 3.45 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.214 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.04 -30.29 70.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.264 0.554 . . . . 0.0 109.619 178.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.58 -3.98 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.015 178.411 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.4 -162.36 12.68 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.827 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -80.2 129.16 34.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.548 0.213 . . . . 0.0 110.643 -179.445 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -144.76 151.11 38.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.831 178.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.452 ' O ' HG12 ' A' ' 105' ' ' ILE . 77.6 mtp -80.98 144.22 31.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.269 -177.516 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.65 132.76 35.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.654 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.16 139.9 30.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.5 m -63.89 -19.29 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.058 -175.852 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -87.08 54.52 3.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 0.0 109.74 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -120.69 153.22 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -179.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 57.84 -100.34 0.11 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.742 177.169 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.61 31.82 2.7 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 178.328 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -104.04 125.83 50.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.057 0.456 . . . . 0.0 110.815 -179.489 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -95.43 177.29 5.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' HA ' ' CG ' ' A' ' 94' ' ' PRO . 72.5 m -79.19 59.94 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 110.165 177.633 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -157.07 168.04 28.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -90.12 106.26 18.36 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -69.9 150.33 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.169 178.399 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.66 -33.57 47.67 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.55 -1.204 . . . . 0.0 113.398 -169.207 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.55 85.03 48.39 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 -175.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.82 -7.4 11.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.825 2.35 . . . . 0.0 111.967 178.078 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.451 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.2 m -89.13 44.93 1.24 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.622 -174.845 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -11.67 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.358 176.647 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.04 21.74 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.054 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 m -56.6 -36.07 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.234 -179.61 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 59.8 tptt -58.65 -42.46 88.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 177.745 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.74 -48.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.18 179.629 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.12 -37.27 76.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.115 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -66.47 -40.85 89.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 24.7 mmm180 -67.29 -27.24 67.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.768 0.318 . . . . 0.0 110.482 178.354 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 43' ' ' LYS . 61.3 mt -88.81 5.41 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 178.304 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.12 49.4 3.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.181 177.31 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -136.5 176.19 8.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.394 176.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.97 -152.98 9.16 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.985 -177.099 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -71.42 155.56 92.6 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 122.546 0.339 . . . . 0.0 111.28 -174.805 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.9 Cg_exo -71.87 116.45 4.71 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.094 2.529 . . . . 0.0 112.111 177.286 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.43 -48.73 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.471 -179.043 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 p -142.08 145.74 34.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 -177.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tt -153.15 119.11 5.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.84 -153.99 25.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.75 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.423 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 38.5 Cg_exo -61.66 100.96 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.919 2.412 . . . . 0.0 111.752 179.255 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.813 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -94.5 -37.75 11.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -175.894 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.76 136.42 46.33 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.936 -176.762 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.76 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 0.0 OUTLIER -89.13 60.3 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.009 0.909 . . . . 0.0 109.561 174.515 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 m -65.88 -44.12 86.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.163 -174.454 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 53.13 61.7 3.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.09 0.471 . . . . 0.0 110.81 -175.767 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.0 m -148.03 97.39 3.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.012 0.434 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 123' ' ' ASP . 87.9 Cg_endo -84.13 48.25 2.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.812 2.341 . . . . 0.0 112.364 -178.928 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -127.33 28.36 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 110.003 -178.759 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 t -174.43 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.991 -179.334 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 p -83.11 149.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.231 -178.748 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 58' ' ' MET . 29.3 pt -126.85 150.86 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.208 178.391 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.3 mt -110.03 124.2 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.807 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 1.7 t -106.76 147.6 29.45 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.11 -177.163 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -118.22 152.81 34.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -177.671 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.07 -128.72 7.15 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.488 -179.422 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -112.77 139.07 48.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.518 0.199 . . . . 0.0 110.622 -176.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.41 114.11 1.14 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.122 179.398 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.6 -7.12 31.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.325 -179.563 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -109.46 117.54 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 178.056 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.12 46.1 0.93 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.785 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 p -63.33 -52.93 59.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.723 -174.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -144.73 95.46 2.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.184 0.516 . . . . 0.0 110.073 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 5.6 m -99.79 146.66 26.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.715 179.608 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -112.2 142.59 44.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -175.299 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -74.68 109.46 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.681 177.845 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -63.01 127.1 29.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.504 -176.115 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -102.1 8.23 40.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 175.061 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -109.77 134.55 51.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 p30 -78.23 -7.98 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.028 -177.256 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.0 tpt -72.94 78.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.642 175.63 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 t -146.4 142.68 28.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.057 -175.821 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.76 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 28.2 m170 -117.68 132.97 56.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.049 175.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.2 m -70.25 126.68 30.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 61' ' ' SER . 24.1 tp -71.66 116.83 12.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 -178.397 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.813 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.61 139.97 14.92 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.117 -179.482 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 tp -126.17 136.45 52.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.9 m -132.13 108.3 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.58 177.561 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 27.1 m -99.83 143.24 30.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.783 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.42 103.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 111.532 -177.406 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.7 176.126 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' N ' ' HB2' ' A' ' 115' ' ' SER . 97.0 mt -131.08 68.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.718 176.07 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 32.7 t -100.32 157.3 16.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -177.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.49 13.78 0.9 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 111.347 178.774 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -106.77 -2.96 20.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.032 171.001 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.99 124.54 74.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.329 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.73 -17.78 60.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.111 2.541 . . . . 0.0 112.627 -176.793 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -106.33 19.26 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.291 179.125 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.28 121.38 20.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.968 177.453 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.65 112.84 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -176.125 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 161.94 39.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -141.1 154.46 45.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.3 mt -107.39 137.49 45.33 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 171.455 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.0 p -56.28 141.4 41.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.589 -176.128 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -72.12 78.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.01 179.11 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.4 p -88.56 -44.98 10.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.307 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -169.66 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.261 -175.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 30.0 t -139.3 144.84 38.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.159 173.931 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HE2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -72.63 -0.17 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.732 0.301 . . . . 0.0 110.966 -176.607 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.836 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 79.4 m -112.37 21.35 15.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.823 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 13.8 pt20 -157.81 132.99 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.55 174.749 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.08 -163.44 30.15 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.69 144.24 49.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.722 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 tp -88.11 112.39 22.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.991 0.424 . . . . 0.0 110.449 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.77 124.68 52.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.624 175.813 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.35 154.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -176.153 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -94.6 114.18 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.22 -179.679 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.634 HD13 HD13 ' A' ' 105' ' ' ILE . 88.6 mt -108.45 -177.16 3.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.098 178.211 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.37 -34.6 66.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.904 177.328 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -100.5 24.83 8.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -177.215 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.17 -165.36 19.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.259 174.383 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -75.02 134.59 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -136.01 149.28 48.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.111 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.774 ' HE2' ' HB ' ' A' ' 98' ' ' THR . 75.5 mtp -86.94 130.44 34.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -80.84 125.17 39.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.063 0.458 . . . . 0.0 110.439 178.458 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.42 140.46 29.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.098 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.702 ' HA ' HD11 ' A' ' 128' ' ' LEU . 86.2 p -74.05 0.62 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.764 0.316 . . . . 0.0 111.762 -175.318 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 7.7 mm-40 -88.51 10.65 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.071 176.27 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 m -82.06 134.82 35.37 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 70.56 -44.69 0.58 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.937 0.895 . . . . 0.0 111.13 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.78 162.89 31.05 Favored Glycine 0 N--CA 1.437 -1.278 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 174.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -79.5 87.99 5.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.387 0.594 . . . . 0.0 110.079 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 11.7 m -79.91 69.23 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.873 -176.064 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -83.96 -11.11 57.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.802 0.811 . . . . 0.0 109.2 171.181 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -122.36 161.31 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.894 177.212 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.07 136.86 33.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.355 . . . . 0.0 110.579 -178.43 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -85.94 137.13 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.107 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.85 23.0 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.632 0.729 . . . . 0.0 110.846 -176.772 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -131.92 70.35 80.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.408 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' GLN . 92.9 Cg_endo -83.81 -15.94 6.79 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.337 2.025 . . . . 0.0 113.138 -172.321 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.533 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.1 m -78.58 22.99 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.468 -175.865 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' PRO . 87.6 mm-40 -77.79 -21.96 50.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.111 0.481 . . . . 0.0 109.847 175.032 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.04 35.16 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.437 -177.278 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -59.79 -40.2 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.566 -178.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 38.5 mmtm -62.6 -29.69 70.79 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.56 -50.5 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.527 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 70.1 m -60.67 -35.14 75.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.676 177.074 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -36.71 84.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 178.168 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 13.9 mmm180 -67.4 -35.27 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.538 0.209 . . . . 0.0 110.614 178.461 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.09 -0.43 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.621 177.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 61.63 52.01 3.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.809 178.574 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.03 -179.58 4.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.02 -170.41 33.06 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.621 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.475 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.4 t70 -69.72 146.04 95.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.355 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 53.2 Cg_exo -47.58 125.05 10.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.749 2.966 . . . . 0.0 113.051 178.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.59 -44.91 10.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.441 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 m -145.56 150.41 36.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.657 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.775 HD13 HD11 ' A' ' 130' ' ' LEU . 10.3 tt -147.99 134.98 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.474 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.82 -153.87 25.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.899 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.81 109.79 2.2 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.148 1.899 . . . . 0.0 111.453 178.328 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.836 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.1 t80 -94.09 -53.44 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.862 -173.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.696 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 23.8 tp -144.96 -178.71 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.851 -176.045 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.696 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 96.1 mttt -133.32 86.43 2.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.555 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.774 ' HB ' ' HE2' ' A' ' 58' ' ' MET . 10.2 m -81.96 -26.64 33.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.306 -178.398 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 79.1 m-85 52.75 67.45 0.99 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 178.692 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.7 m -124.78 81.49 61.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.629 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.43 -40.63 53.58 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.632 2.888 . . . . 0.0 114.331 -171.325 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.4 -41.12 96.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 0.0 111.222 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 m -89.06 -28.62 20.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.788 -173.1 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 34.3 p -75.18 140.79 43.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.848 0.356 . . . . 0.0 111.335 -177.938 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.634 HD13 HD13 ' A' ' 52' ' ' LEU . 37.6 pt -129.47 153.18 38.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.6 mt -117.87 124.75 73.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.77 174.118 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -98.57 150.27 21.89 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.198 179.292 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -149.93 166.71 28.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.431 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.63 -81.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 179.627 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.36 127.15 48.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.731 0.301 . . . . 0.0 110.771 -176.403 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.89 125.2 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.932 -177.584 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 95.9 -16.66 60.74 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.768 177.498 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -88.59 105.08 17.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.014 0.435 . . . . 0.0 110.521 -178.217 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.474 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 98.1 m-85 -90.88 16.43 9.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.257 179.164 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 26' ' ' LEU . 7.0 t -95.4 2.11 54.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.726 -179.905 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -138.97 69.86 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 0.0 109.323 -178.731 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 13.4 m -131.41 166.15 21.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.373 -176.162 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.9 m -148.68 140.16 23.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.395 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.84 68.93 7.28 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.047 0.927 . . . . 0.0 111.268 -178.509 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.2 t -69.59 112.75 6.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.85 177.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -82.35 72.4 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.017 -176.357 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.17 164.14 11.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.048 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -106.27 28.51 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -177.567 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.76 24.98 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 176.513 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.5 t -91.96 120.79 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.678 -171.723 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.459 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 45.6 m80 -107.42 136.34 47.37 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 175.038 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -76.92 120.41 22.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.994 0.426 . . . . 0.0 110.59 -175.045 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.7 tt -76.99 134.0 38.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.536 -177.269 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.836 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -129.65 154.35 20.38 Favored Glycine 0 N--CA 1.439 -1.111 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.637 -178.26 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.775 HD11 HD13 ' A' ' 92' ' ' LEU . 57.7 tp -124.12 132.09 53.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.909 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 m -113.57 102.68 10.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.198 178.521 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.836 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 62.8 m -86.35 148.08 25.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.388 179.364 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 tt -73.61 94.55 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.776 -178.263 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 88.4 mt -138.25 105.75 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.854 0.359 . . . . 0.0 110.591 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 29' ' ' TYR . 69.1 p -132.49 164.9 25.55 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.23 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.727 178.716 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.2 m-85 -132.9 12.8 4.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.474 173.633 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -99.74 139.96 21.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.813 176.336 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.28 -13.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.096 2.531 . . . . 0.0 112.333 -179.434 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.34 -6.91 57.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 178.311 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -80.16 116.87 20.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.019 0.438 . . . . 0.0 110.777 -176.202 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -119.87 135.01 55.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.077 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.507 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -142.31 156.24 45.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.735 -178.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 8.6 ptp180 -147.27 155.64 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.405 178.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.84 91.2 3.57 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -58.17 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -160.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -137.33 90.55 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.265 -173.067 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.6 p -118.21 -71.43 0.74 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.254 0.55 . . . . 0.0 110.275 176.547 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.94 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.908 -178.803 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.548 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 32.5 t -129.64 168.08 17.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.348 178.572 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -97.57 -1.24 44.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.431 -174.078 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.558 ' HB2' ' HG2' ' A' ' 134' ' ' GLU . 76.5 m -117.04 18.15 14.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 1.4 pp0? -161.81 146.12 12.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 177.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.72 28.06 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.85 176.478 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.576 ' HG3' HD11 ' A' ' 96' ' ' LEU . 85.6 mt-30 -66.69 124.46 22.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.71 0.291 . . . . 0.0 110.455 179.138 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -82.36 106.45 14.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.5 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -109.33 125.32 52.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.686 174.288 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.69 151.96 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.561 -177.471 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -95.24 119.14 33.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.11 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.5 mt -114.84 -173.04 2.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -46.41 -45.11 17.74 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.149 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 17.61 20.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.042 0.448 . . . . 0.0 111.463 -173.472 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.28 -161.6 12.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.611 175.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.507 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -77.57 141.24 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -176.384 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -142.06 144.32 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.487 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 79.5 mtp -80.73 125.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.987 179.524 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.84 124.61 35.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.546 -179.575 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.54 135.91 33.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.551 178.452 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -69.76 -8.88 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.042 0.449 . . . . 0.0 111.253 -177.445 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.751 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 11.1 mm-40 -77.54 -7.67 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 177.472 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -66.95 150.5 49.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.801 -179.684 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.3 m0 73.14 -53.6 0.7 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.063 172.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.77 41.79 0.46 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.883 -1.151 . . . . 0.0 114.004 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.751 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER 37.76 83.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.352 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.0 m -102.92 110.71 22.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -97.36 -12.41 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.92 165.88 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.278 178.056 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -91.2 150.67 21.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.994 179.797 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -97.18 140.27 31.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 -178.649 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.33 -19.07 47.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.766 -178.486 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -126.82 90.4 49.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 -177.561 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -96.56 18.59 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.241 2.627 . . . . 0.0 112.355 177.498 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.513 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.6 m -71.04 -1.45 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.814 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.42 -6.04 55.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.257 0.551 . . . . 0.0 110.514 174.623 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.41 10.79 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -56.05 -32.96 64.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 45.2 mmtm -67.32 -32.45 73.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.087 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.2 t -65.31 -48.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.291 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.1 m -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.147 176.67 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -45.28 95.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.061 178.819 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 23.9 mmm180 -66.89 -22.75 65.96 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.779 -178.707 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.47 0.44 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.793 175.138 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.09 42.48 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -178.252 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.1 m -114.06 172.46 6.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.658 177.697 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.65 -164.57 31.48 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.066 -177.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.62 149.09 64.06 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.893 0.477 . . . . 0.0 111.936 -176.112 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.513 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 65.1 Cg_endo -76.3 129.59 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.09 2.527 . . . . 0.0 112.398 -179.412 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 133' ' ' LEU . 81.6 mt -98.09 -43.02 7.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.558 -176.09 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.43 ' O ' HD12 ' A' ' 130' ' ' LEU . 45.9 m -148.37 148.86 30.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 111.223 -176.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.617 HD11 HD13 ' A' ' 130' ' ' LEU . 23.1 tp -141.37 131.71 25.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.536 178.246 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.91 -173.07 41.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.249 178.232 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.98 99.56 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.646 2.231 . . . . 0.0 111.256 176.331 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.47 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 67.0 t80 -86.9 -38.79 16.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -173.86 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' ' 47' ' ' GLN . 90.1 mt -131.89 150.69 52.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 -177.751 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -110.04 83.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.537 178.879 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -89.34 -31.65 17.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.085 -174.278 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 47.29 65.76 1.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 111.566 -176.849 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 m -129.95 90.5 42.49 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.013 0.435 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -78.42 63.7 8.43 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.429 2.753 . . . . 0.0 112.132 -175.73 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -141.04 -72.52 0.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.448 -179.481 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 m -81.01 -16.83 52.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.182 -176.732 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 52.9 p -77.89 147.63 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -177.112 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.02 139.89 49.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 tt -107.77 121.66 61.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 170.589 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.02 153.95 23.88 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.661 -174.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.08 148.51 48.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.449 -179.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.35 -96.01 0.2 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.819 -177.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -140.27 158.88 43.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.677 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.83 116.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.318 -177.506 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.85 3.28 64.21 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.919 177.53 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.6 t -91.9 126.21 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.819 0.343 . . . . 0.0 110.5 178.734 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.513 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 93.1 m-85 -124.89 23.49 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 178.15 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 8.3 t -76.79 -22.86 53.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.21 -172.686 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -149.56 88.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.471 0.653 . . . . 0.0 110.082 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 4.5 m -122.52 159.11 28.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.562 -177.678 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -129.66 144.63 51.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.49 0.186 . . . . 0.0 110.51 -179.59 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.58 125.45 26.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 110.075 179.707 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.1 p -76.68 110.85 11.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.98 -173.074 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -94.85 -14.88 24.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.169 0.509 . . . . 0.0 109.982 175.655 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -92.02 117.33 29.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.331 174.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -78.91 64.47 3.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.817 -171.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.1 mmt -109.34 23.97 13.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.167 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.789 -164.75 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -127.24 134.3 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 171.302 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -76.98 120.89 22.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.031 0.443 . . . . 0.0 111.329 -173.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 tp -76.49 135.01 39.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.04 -178.956 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -131.76 150.96 19.64 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.642 177.648 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.617 HD13 HD11 ' A' ' 92' ' ' LEU . 63.4 tp -123.24 137.56 54.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.613 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.0 m -112.03 111.97 23.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.327 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.16 153.63 23.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.046 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 90' ' ' LEU . 32.2 mt -56.41 122.89 12.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.558 ' HG2' ' HB2' ' A' ' 44' ' ' CYS . 15.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.219 -179.455 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -138.13 90.69 2.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.477 -178.076 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 m -148.75 155.75 41.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.698 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.88 21.79 0.3 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.059 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -116.09 -0.95 12.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 174.245 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.74 143.61 30.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.56 -25.09 15.4 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.948 2.432 . . . . 0.0 112.252 -177.109 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.61 -1.95 54.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -90.98 99.16 12.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.139 0.495 . . . . 0.0 111.142 -178.308 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.57 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.907 179.721 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HA ' HD22 ' A' ' 84' ' ' LEU . 4.4 ptp180 -143.53 157.68 44.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.444 . . . . 0.0 110.376 -178.486 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.7 mt -102.21 120.46 40.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 168.691 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.5 p -57.71 152.35 15.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.632 0.73 . . . . 0.0 112.846 -169.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -70.14 55.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.212 176.661 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m -95.84 -27.24 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.197 -177.831 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -161.2 -65.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 -177.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.439 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 35.1 t -136.38 155.49 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.116 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 84' ' ' LEU . 12.6 pttm -70.79 -11.72 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -176.368 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.47 ' HB2' ' OE2' ' A' ' 134' ' ' GLU . 77.6 m -106.97 -5.85 17.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.252 -178.087 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 12.4 pt20 -151.48 114.81 4.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.528 0.68 . . . . 0.0 111.267 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.52 -153.0 10.18 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.007 -179.432 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' NE2' HD11 ' A' ' 96' ' ' LEU . 72.2 mt-30 -85.76 135.93 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.575 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.78 112.58 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 0.0 110.076 178.738 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -115.37 128.97 56.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -119.46 147.54 23.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.025 0.441 . . . . 0.0 111.386 -174.875 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -92.02 118.27 30.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.602 178.437 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -109.29 174.14 6.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.386 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -54.74 -38.05 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.528 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -101.12 26.73 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.291 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.83 -175.97 16.82 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.832 172.485 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.05 137.28 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 -179.591 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -132.96 143.98 49.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.276 -179.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.88 139.04 37.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.47 131.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 179.522 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 t -96.77 148.05 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.666 178.112 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.6 p -66.23 -13.09 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 -177.915 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 66' ' ' ARG . 78.2 mm-40 -81.84 11.97 4.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 111.287 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -82.11 144.99 30.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 65.85 9.85 6.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.453 0.701 . . . . 0.0 111.447 179.366 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.69 151.43 5.46 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 1.3 mpp_? -78.99 84.7 4.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.343 0.592 . . . . 0.0 111.225 -178.816 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 129.6 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 174.484 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -89.49 -22.68 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.487 -176.121 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 32.6 mmtp -108.11 -81.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.43 -177.297 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.93 173.08 13.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -174.522 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -102.68 157.49 16.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.323 177.147 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.24 -15.97 61.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.817 -167.399 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.526 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 6.4 t70 -138.81 87.62 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.015 -177.586 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.53 -21.46 25.83 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.845 2.363 . . . . 0.0 111.8 176.273 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 p -69.87 -3.71 17.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.244 -177.617 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.526 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 12.6 mm-40 -80.37 -17.5 51.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 172.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.37 7.54 45.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.427 -175.138 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 m -55.98 -33.99 65.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.342 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.2 mmtm -65.21 -34.37 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.306 179.858 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -64.67 -44.47 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.9 m -59.03 -38.85 80.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.12 -38.63 91.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.498 178.122 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 25.2 mmm-85 -65.82 -26.16 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.331 178.84 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 36' ' ' ARG . 4.5 mm? -92.82 2.14 56.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.244 177.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 64.56 46.99 3.05 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.446 0.641 . . . . 0.0 110.47 -178.273 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.52 179.58 5.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.255 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.55 -164.71 38.25 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.457 -179.546 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.6 151.14 53.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.773 0.429 . . . . 0.0 112.021 -176.38 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.95 117.73 2.29 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.239 2.626 . . . . 0.0 112.979 179.501 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -76.21 -31.05 58.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.05 179.64 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.7 m -154.62 152.38 29.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.239 -176.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 130' ' ' LEU . 25.6 tp -141.57 90.66 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.812 178.564 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 128' ' ' LEU . . . -161.81 -113.87 0.31 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.304 -0.951 . . . . 0.0 113.001 -175.601 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 54.0 Cg_endo -95.9 159.92 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.845 2.363 . . . . 0.0 112.83 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.638 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.0 t80 -142.18 -60.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 175.019 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.617 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 87.8 mt -125.19 143.5 50.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.856 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 10.0 mtmp? -92.71 70.05 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.995 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -71.59 -38.2 70.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.985 -178.378 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 76.8 m-85 50.79 44.41 27.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.863 0.363 . . . . 0.0 111.907 -178.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.4 m -116.4 90.05 28.79 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 121.144 0.497 . . . . 0.0 109.895 177.374 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.99 69.82 3.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 123.363 2.709 . . . . 0.0 112.23 -177.581 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -166.85 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.068 178.312 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 p -72.26 -39.78 68.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.476 179.236 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.4 p -88.53 126.88 35.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.283 175.734 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.2 159.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.332 -176.14 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -113.55 114.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.655 176.404 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.429 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 71.7 m -99.03 146.8 25.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.386 179.559 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -145.87 160.73 41.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 178.239 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.36 -82.01 0.27 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -138.65 143.51 39.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.024 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.41 110.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.301 0.376 . . . . 0.0 110.621 179.315 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.78 -16.27 28.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.95 -178.384 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -96.2 142.67 28.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.429 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 85.5 m-85 -124.53 27.75 6.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.411 179.26 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.3 m -62.46 -32.47 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.03 -174.706 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -136.24 108.62 7.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.032 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 23.5 m -128.05 147.45 50.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.149 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.7 m -128.59 157.77 40.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -68.58 133.05 47.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.43 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -58.31 121.6 11.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.857 -172.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 121' ' ' ARG . 1.6 mmp_? -105.25 0.36 27.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.765 176.27 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.69 122.56 46.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.857 -173.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.83 38.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.965 0.888 . . . . 0.0 111.0 -176.257 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.6 mtt -120.39 18.29 12.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.21 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.52 110.91 9.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.658 -171.617 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.86 134.57 42.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.246 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 m -66.36 116.58 7.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.152 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 92' ' ' LEU . 8.8 tt -62.58 124.93 22.25 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.747 0.654 . . . . 0.0 111.035 -171.581 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.638 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.19 119.78 5.8 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.994 -179.618 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 92' ' ' LEU . 50.5 tp -104.4 115.5 30.48 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.035 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.0 m -101.26 94.54 6.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 -177.103 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.489 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 12.5 m -99.2 150.08 22.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.141 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.21 127.78 33.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.47 ' OE2' ' HB2' ' A' ' 44' ' ' CYS . 20.3 mp0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.739 169.915 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.726 ' NH1' ' HG ' ' A' ' 113' ' ' SER . 18.4 mmm180 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.719 0.295 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.44 82.97 2.0 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.3 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 29' ' ' TYR . 1.5 m -113.33 155.48 25.1 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.24 22.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 111.236 175.687 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.575 ' HE1' ' HA ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -120.54 -4.97 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.964 174.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 8.6 m-20 -75.77 129.45 81.32 Favored Pre-proline 0 CA--C 1.519 -0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.108 178.625 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 83.5 Cg_exo -48.36 -44.62 28.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.389 2.726 . . . . 0.0 113.972 -169.237 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.03 25.67 10.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.354 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -71.4 107.53 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.847 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 72.4 mt-30 -75.14 118.65 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 111.252 -175.35 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.83 149.54 31.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.126 178.13 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -139.07 155.73 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.092 0.472 . . . . 0.0 110.236 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -101.33 130.72 47.55 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 170.699 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -66.42 167.95 9.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.086 0.47 . . . . 0.0 111.351 -174.382 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -81.83 47.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.648 -173.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -67.71 -33.29 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -154.58 -50.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.333 174.947 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -160.5 170.1 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.966 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.704 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.62 -3.17 20.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.841 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.6 m -105.75 5.59 31.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.507 178.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 2.6 pt20 -162.25 123.86 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.986 176.433 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.45 -160.7 34.35 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.332 179.495 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.7 131.08 41.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 128' ' ' LEU . 53.9 tp -78.63 115.0 18.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.086 0.47 . . . . 0.0 110.49 179.176 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -118.95 129.87 55.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' TRP . 35.9 m -120.34 153.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.959 0.409 . . . . 0.0 111.595 -173.278 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.506 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 87.8 t80 -97.5 113.04 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.853 175.811 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.51 -168.42 1.63 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.919 178.041 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.759 ' H ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.31 -41.19 72.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.416 0.627 . . . . 0.0 110.094 177.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -88.33 20.26 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.715 -178.309 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 -159.45 28.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.146 173.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 50' ' ' VAL . 88.7 m95 -81.75 117.25 21.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.048 0.452 . . . . 0.0 110.655 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.81 142.4 46.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 179.613 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtp -71.62 143.2 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.014 178.488 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.77 129.88 47.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 0.0 110.477 178.643 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.6 136.43 36.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.961 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 128' ' ' LEU . 50.7 p -66.5 -7.0 16.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.829 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.654 ' HB3' ' HG3' ' A' ' 66' ' ' ARG . 5.9 mm100 -89.6 15.56 9.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -176.489 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.4 m -79.42 143.06 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.275 -177.203 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.465 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 4.6 m-90 60.02 17.61 6.87 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.517 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.29 93.65 0.1 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.654 ' HG3' ' HB3' ' A' ' 62' ' ' GLN . 35.9 ttp180 -73.45 82.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.5 0.667 . . . . 0.0 110.555 -178.223 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -127.64 142.17 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.382 -179.681 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 62.29 5.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 176.877 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -140.82 144.71 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.835 -175.344 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.733 ' HA ' HE21 ' A' ' 70' ' ' GLN . 0.0 OUTLIER -66.3 129.67 40.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.313 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.466 ' HD1' ' HA2' ' A' ' 93' ' ' GLY . 90.6 m95 -69.43 127.19 32.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.648 . . . . 0.0 111.396 -175.104 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.82 -23.43 63.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.727 -174.62 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -121.91 88.57 47.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.529 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.04 -14.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.851 2.367 . . . . 0.0 112.014 177.123 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.416 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 50.7 m -65.95 -21.84 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.739 -175.265 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HA ' ' HE1' ' A' ' 29' ' ' TYR . 15.8 mm100 -65.75 -13.04 58.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 176.061 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.12 13.45 27.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 110.892 177.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 40.9 t -56.55 -43.62 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.811 -177.609 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -62.2 -27.2 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.329 -175.461 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.433 ' O ' HD21 ' A' ' 84' ' ' LEU . 95.9 t -64.97 -52.14 57.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.09 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.2 m -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.477 177.833 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 78' ' ' SER . 31.9 mm-40 -62.14 -47.22 85.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.638 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -70.04 -21.49 63.17 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.698 0.285 . . . . 0.0 111.726 179.708 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 80' ' ' VAL . 3.9 mm? -82.58 -3.15 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.577 173.515 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 66.94 31.79 6.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -178.205 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.59 -174.69 2.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.25 175.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.58 -143.45 10.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.511 179.193 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.44 153.01 87.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.735 0.302 . . . . 0.0 110.813 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 57.7 Cg_endo -78.69 114.48 3.46 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.932 2.421 . . . . 0.0 111.935 177.397 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.32 -49.32 13.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.084 -176.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.538 ' HB3' ' OE1' ' A' ' 70' ' ' GLN . 54.1 m -144.53 149.62 36.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 -174.894 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 130' ' ' LEU . 34.5 tp -146.58 140.06 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.373 -179.501 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.466 ' HA2' ' HD1' ' A' ' 71' ' ' TRP . . . 147.11 -157.89 27.55 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.552 178.362 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 90.91 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.933 2.422 . . . . 0.0 111.781 177.884 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.926 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.6 t80 -73.42 -75.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.978 -177.533 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 95' ' ' PHE . 6.2 mp -130.92 148.08 52.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.584 176.93 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HD2' ' HB3' ' A' ' 124' ' ' MET . 29.0 ttpp -91.6 90.0 7.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 m -67.58 -27.11 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.821 176.5 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.434 ' HE2' ' HG2' ' A' ' 124' ' ' MET . 17.3 t80 60.03 74.47 0.44 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.468 0.652 . . . . 0.0 110.7 175.416 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 m -139.91 73.19 33.76 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.987 177.813 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 67.52 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.307 2.671 . . . . 0.0 112.794 -176.148 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -172.58 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.622 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.5 t -85.29 -4.5 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.149 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 p -106.33 141.76 37.12 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.545 179.163 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.4 pt -115.24 152.29 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.617 178.538 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.83 127.64 75.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 65.2 m -104.18 147.91 26.91 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.867 -176.674 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -147.25 163.53 36.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.05 -115.77 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.549 -177.533 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.522 ' HB2' ' OG ' ' A' ' 113' ' ' SER . 0.7 OUTLIER -90.67 148.39 22.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.392 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.9 111.89 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -175.51 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 102.8 -7.59 53.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.605 178.521 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.726 ' HG ' ' NH1' ' A' ' 25' ' ' ARG . 50.4 m -77.73 109.91 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 111.631 -179.565 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.465 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 84.4 m-85 -94.59 19.29 10.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.33 0.586 . . . . 0.0 110.007 173.864 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.4 t -91.31 -9.5 44.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.525 -178.025 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -138.07 76.12 1.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.647 -178.379 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 33.6 m -125.64 148.59 48.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.319 -178.011 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -132.11 170.32 15.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -73.64 136.52 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.595 0.236 . . . . 0.0 110.522 -179.108 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 m -84.31 85.48 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 0.0 110.066 179.3 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -96.72 38.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.678 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -96.49 -164.04 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -176.321 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.913 -178.83 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.434 ' HG2' ' HE2' ' A' ' 99' ' ' TYR . 62.8 mtt -105.88 86.19 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.608 -177.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.57 122.99 22.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 173.32 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -95.46 137.42 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.597 178.298 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -73.13 125.58 28.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.726 0.298 . . . . 0.0 110.274 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 61' ' ' SER . 56.8 tp -67.4 111.71 4.21 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.096 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.926 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.95 138.8 14.25 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.984 -177.817 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -123.3 124.51 43.14 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.38 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -108.18 108.81 20.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.332 178.838 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.9 m -106.22 146.58 30.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.87 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.56 125.03 20.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 176.701 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.807 179.914 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.662 0.268 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -166.7 69.06 0.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.993 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.0 m -95.93 155.16 16.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.001 -172.674 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.92 18.0 0.2 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.207 0.527 . . . . 0.0 111.04 176.413 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' SER . 76.4 m-85 -110.7 -6.14 14.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.021 172.857 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -74.83 138.96 73.28 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.39 -1.06 9.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.992 2.462 . . . . 0.0 112.738 -176.165 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -120.35 14.53 12.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.263 0.554 . . . . 0.0 110.46 178.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -81.85 136.69 35.35 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 179.847 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.46 125.11 39.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.619 -179.153 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.14 161.4 38.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 179.436 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 3.9 ptp180 -146.44 164.48 32.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.632 178.587 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.87 122.44 47.54 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.028 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 16.8 p -64.27 143.68 57.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 40' ' ' SER . 26.6 ptt-85 -41.92 -56.12 2.87 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.118 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 23.7 t 58.88 -78.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 110.68 -174.251 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -143.6 -40.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -125.62 146.16 49.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.534 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.06 23.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -171.932 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 47.5 t -138.92 10.66 2.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.703 0.763 . . . . 0.0 110.181 178.912 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -153.02 135.41 15.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 177.515 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.46 -161.15 31.52 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 119.52 -1.324 . . . . 0.0 112.83 178.577 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.5 mp0 -73.15 130.86 41.19 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.349 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.52 122.75 22.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -178.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -122.48 125.84 46.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.09 150.75 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.005 0.431 . . . . 0.0 111.241 -174.372 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -94.44 106.18 18.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.842 178.363 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -96.32 -172.74 2.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.615 ' HD2' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.46 -33.0 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 -179.639 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -72.57 -45.44 59.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.957 176.805 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.29 -156.01 26.76 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.479 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.401 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.2 m95 -81.16 116.49 21.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 -178.81 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.86 142.42 50.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.0 mtp -76.43 146.42 38.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.951 178.277 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.64 131.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 110.849 -179.642 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.18 144.83 25.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.543 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 95.5 p -75.88 12.36 1.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.91 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -94.65 7.1 46.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.078 0.466 . . . . 0.0 109.925 175.18 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 107' ' ' CYS . 50.4 m -81.92 129.78 34.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.904 -177.87 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 68.42 -62.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 -178.363 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.49 134.63 11.03 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.587 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 3.2 mpt_? -77.65 83.29 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.743 0.782 . . . . 0.0 109.407 -177.456 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 m -82.69 83.41 7.67 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.2 -170.328 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 m -79.81 -25.33 40.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 165.13 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -118.94 166.07 13.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.243 -1.344 . . . . 0.0 107.777 174.484 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -91.3 139.52 30.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.743 0.306 . . . . 0.0 111.112 -174.134 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -85.55 146.57 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.986 177.303 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.97 56.94 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.451 -174.439 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.463 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.4 t70 -156.25 81.13 3.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.986 174.533 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.51 -7.5 13.73 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.855 2.37 . . . . 0.0 111.799 177.087 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 t -59.46 -31.88 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.034 -178.238 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.463 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 84.3 mm-40 -60.58 -26.85 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 111.214 178.937 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.6 8.79 44.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.619 -175.023 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.406 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.4 t -58.85 -33.88 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.077 179.723 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 43.7 mmtm -63.65 -41.84 98.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.085 177.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.01 -46.13 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.208 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 98.1 m -58.58 -38.37 77.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 177.115 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.14 -43.94 93.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.185 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 21.0 mmm180 -67.04 -24.6 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.9 -178.817 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 3.25 55.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.311 177.834 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.41 46.83 9.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.909 0.862 . . . . 0.0 110.354 -178.886 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.9 174.25 6.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 -149.11 3.26 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.701 177.27 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.47 155.7 92.35 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.612 0.244 . . . . 0.0 110.951 178.46 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 2.0 Cg_endo -80.48 120.84 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.094 2.53 . . . . 0.0 111.839 178.231 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.16 -49.95 10.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.862 -178.37 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.9 p -144.96 149.56 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.03 -176.31 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.77 HD11 HD13 ' A' ' 130' ' ' LEU . 26.9 tp -146.5 126.55 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.872 179.675 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.31 -144.66 14.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.228 178.276 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.49 85.75 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.369 2.046 . . . . 0.0 111.536 178.062 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.521 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 77.7 t80 -84.6 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.728 -175.667 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 127' ' ' SER . 41.1 tp -134.3 148.69 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -177.126 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HD2' ' ND1' ' A' ' 126' ' ' HIS . 3.5 mppt? -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 177.413 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -72.74 -31.39 64.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 170.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.4 t80 55.63 70.05 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.582 172.24 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.2 m -150.14 81.37 6.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.96 64.29 2.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.92 2.413 . . . . 0.0 112.505 -179.044 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.441 ' HA ' ' HE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -145.0 -58.21 0.35 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.526 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -74.45 -18.05 60.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.597 178.189 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 p -96.87 144.11 27.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 pt -116.11 164.58 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.22 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -123.22 133.55 68.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.0 t -123.21 158.19 31.39 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.734 -175.235 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -148.19 165.41 31.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.78 -124.03 4.48 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -173.711 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -99.76 135.05 41.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.877 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.6 tp -54.41 111.35 0.77 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.955 -176.451 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.93 -4.11 36.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.673 177.858 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 4.1 t -117.09 118.97 33.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.107 0.479 . . . . 0.0 110.719 -179.731 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.11 51.54 2.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.855 178.646 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -72.54 -37.68 68.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.037 -174.915 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -143.38 95.13 2.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.257 179.879 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 9.3 m -108.74 160.24 16.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.895 -179.902 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.9 m -144.63 172.27 13.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.441 ' HE1' ' HA ' ' A' ' 102' ' ' GLN . 72.4 t60 -66.61 140.26 57.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.593 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -64.93 99.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.311 0.576 . . . . 0.0 111.399 -176.723 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -96.12 17.43 15.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.295 175.226 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -104.37 120.52 41.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.083 -177.802 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.44 -31.23 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.687 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -93.07 63.73 3.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.161 0.505 . . . . 0.0 109.79 176.563 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.6 t -87.87 98.3 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.375 0.607 . . . . 0.0 110.799 -179.119 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.543 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 17.7 m-70 -87.69 133.3 33.86 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.622 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 15.0 m -68.81 129.84 41.08 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.144 179.823 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 tt -75.45 110.83 10.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -109.57 132.91 11.31 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.775 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 92' ' ' LEU . 60.7 tp -111.61 133.63 53.73 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.331 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.5 m -122.39 106.27 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.192 178.552 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 20.4 m -95.52 158.9 15.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.004 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.61 46.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.813 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 6.8 tp10 . . . . . 0 C--O 1.253 1.255 0 O-C-N 123.817 0.698 . . . . 0.0 110.898 177.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.048 0.452 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD13 ' HE3' ' A' ' 53' ' ' LYS . 6.3 mp -122.15 94.36 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.367 172.291 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 p -109.26 154.6 22.22 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.463 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.87 10.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 111.58 178.845 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.72 -9.29 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.113 172.311 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.638 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 3.1 m-20 -66.51 126.08 91.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 177.347 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.5 Cg_exo -60.22 -24.02 75.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.002 2.468 . . . . 0.0 112.691 -179.034 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -113.03 27.3 9.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.336 179.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.638 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 54.2 t80 -85.2 92.63 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.551 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 29.0 mt-30 -65.39 129.04 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.191 -176.179 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.1 150.86 36.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.129 177.168 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -140.52 152.73 45.8 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.164 0.506 . . . . 0.0 110.455 -178.819 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 97.1 mt -102.1 141.56 34.75 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 170.298 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 38.4 p -58.05 159.02 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.441 178.868 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -74.14 56.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -177.646 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -71.39 -53.35 14.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.949 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -157.6 -61.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.532 . . . . 0.0 109.682 179.273 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 t -131.29 161.19 32.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.786 -176.418 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -72.09 -0.09 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.0 m -101.52 -3.48 28.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.829 179.473 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -157.9 130.99 7.51 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.918 -0.489 . . . . 0.0 111.753 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.87 -161.43 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.223 177.169 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 35.1 tt0 -84.16 138.25 33.1 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.538 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 tp -89.25 117.25 28.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.289 0.566 . . . . 0.0 112.156 -173.44 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -116.15 130.77 56.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.297 172.708 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.72 151.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 110.772 -178.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.551 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.2 t80 -96.0 110.6 22.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.248 179.442 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.8 178.89 6.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.331 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' HE3' HD13 ' A' ' 26' ' ' LEU . 99.7 mttt -60.37 -37.95 82.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -178.19 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD2' ' HE1' ' A' ' 57' ' ' HIS . 6.0 p-10 -82.76 -37.4 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.708 -178.912 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.07 -174.27 44.79 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 119.599 -1.286 . . . . 0.0 113.815 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.23 139.58 42.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.419 -0.391 . . . . 0.0 111.006 -177.027 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' HE1' ' OD2' ' A' ' 54' ' ' ASP . 26.6 m80 -146.28 148.15 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.078 0.466 . . . . 0.0 111.534 -179.385 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HE2' HG22 ' A' ' 98' ' ' THR . 41.9 mtp -83.58 130.44 34.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.021 179.087 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.02 122.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' C ' ' H ' ' A' ' 62' ' ' GLN . 61.1 m -81.12 137.24 35.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.343 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 p -76.4 41.1 0.24 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.396 0.617 . . . . 0.0 111.064 -178.863 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.492 HE21 HD13 ' A' ' 106' ' ' ILE . 10.0 pt20 -141.92 36.8 1.59 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.728 0.775 . . . . 0.0 109.226 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.6 m -102.59 160.71 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.607 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.407 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 4.6 m-90 60.7 20.79 10.79 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.032 0.533 . . . . 0.0 111.615 177.66 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 15.26 81.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.273 -178.254 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.698 ' HG3' HD13 ' A' ' 111' ' ' LEU . 16.0 mmt180 -96.19 133.05 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 p -79.54 160.32 26.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 m -77.78 67.83 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.148 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -139.44 135.43 33.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.265 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 53.0 tt0 -72.67 116.03 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 -176.773 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -88.62 178.42 6.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -86.8 31.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.242 -177.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.476 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t70 -155.29 87.61 3.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 -176.589 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -101.85 1.3 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.058 2.505 . . . . 0.0 112.208 171.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -81.29 -9.55 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.396 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 85.4 mm-40 -69.0 -24.55 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.651 177.844 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.73 16.91 16.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.099 -177.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 8.3 p -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.306 179.08 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -63.24 -34.01 76.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.8 -47.36 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.083 178.44 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.96 -33.0 72.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.66 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 78' ' ' SER . 79.1 mm-40 -63.03 -48.15 79.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.015 179.009 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -20.75 63.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.689 179.676 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.86 1.9 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 176.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 t30 63.13 47.96 3.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.637 179.06 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.6 m -129.61 178.18 6.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.59 -145.25 12.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.936 -178.653 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.74 150.83 96.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.748 0.309 . . . . 0.0 111.048 -177.51 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.95 111.21 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.747 2.298 . . . . 0.0 111.889 177.332 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.94 -51.14 11.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.891 -177.618 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.4 m -135.58 149.06 49.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -176.394 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD2' HD13 ' A' ' 128' ' ' LEU . 6.2 tt -147.37 116.94 7.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -177.793 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.31 34.92 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.611 -178.673 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 109.42 2.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.604 2.203 . . . . 0.0 112.163 -179.396 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 86.7 t80 -96.91 -26.64 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.612 -174.565 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.74 140.34 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.74 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -94.2 58.79 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.59 0.71 . . . . 0.0 110.742 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.406 HG22 ' HE2' ' A' ' 58' ' ' MET . 7.5 m -67.67 100.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.288 -177.851 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 124' ' ' MET . 55.3 m-85 -86.51 49.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 0.0 110.232 177.094 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -132.88 112.13 13.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.732 -177.622 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.582 ' HG3' ' HA ' ' A' ' 123' ' ' ASP . 17.2 Cg_endo -91.25 104.41 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.268 2.645 . . . . 0.0 112.392 178.816 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -149.12 -68.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.428 . . . . 0.0 110.405 177.716 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 m -112.2 25.29 11.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.309 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -95.36 142.42 27.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.279 -178.545 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.73 154.39 38.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 112.381 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.492 HD13 HE21 ' A' ' 62' ' ' GLN . 47.6 mt -118.83 125.15 74.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.079 170.765 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.0 m -93.6 140.99 28.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -117.85 139.72 50.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.141 -179.402 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.51 -150.72 16.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.048 -177.743 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -82.74 136.43 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -178.121 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.698 HD13 ' HG3' ' A' ' 66' ' ' ARG . 10.0 tt -54.49 124.19 15.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.657 -179.907 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.37 -20.47 18.61 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.679 -177.923 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.1 t -99.41 114.45 27.37 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.322 0.582 . . . . 0.0 111.145 -179.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -99.96 22.88 10.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.359 175.906 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 26' ' ' LEU . 1.5 t -70.22 -24.67 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.884 -175.219 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -140.26 94.84 2.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 14.7 m -125.92 144.97 50.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.824 177.803 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -125.78 157.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.868 -176.113 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 127.41 32.07 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.084 179.095 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.4 p -77.73 82.26 4.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.009 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -77.72 80.74 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.366 0.603 . . . . 0.0 110.719 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.567 HD21 ' HG2' ' A' ' 124' ' ' MET . 6.1 t30 -161.82 155.67 21.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.284 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.582 ' HA ' ' HG3' ' A' ' 101' ' ' PRO . 9.6 p-10 -77.28 32.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -172.618 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.616 ' HA ' ' HA ' ' A' ' 99' ' ' TYR . 13.3 ptp -163.06 146.95 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.967 179.013 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.3 t -146.97 109.13 4.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.705 170.514 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -63.21 102.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 170.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 m -75.59 126.78 31.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.902 0.382 . . . . 0.0 111.198 -171.92 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.496 HD13 ' CD2' ' A' ' 92' ' ' LEU . 54.3 tp -75.62 133.92 40.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.884 178.947 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.424 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -137.98 158.25 24.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.582 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 131' ' ' THR . 3.4 tt -137.89 147.19 44.21 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.857 0.36 . . . . 0.0 110.064 -176.106 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.551 ' N ' HD22 ' A' ' 130' ' ' LEU . 37.7 m -119.4 102.0 8.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.902 177.045 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.488 ' SG ' HD21 ' A' ' 130' ' ' LEU . 19.4 m -88.94 146.31 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.073 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.51 124.44 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 178.481 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.976 -178.394 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -116.2 101.91 9.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.527 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 29' ' ' TYR . 37.6 m -147.64 153.71 39.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.818 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.433 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -79.41 26.0 0.3 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 111.832 -176.286 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.782 ' HA ' ' HD2' ' A' ' 79' ' ' LYS . 67.2 m-85 -117.66 -0.05 11.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.839 173.293 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.58 137.67 21.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.06 -13.13 37.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.052 2.501 . . . . 0.0 112.91 -177.046 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -96.11 2.06 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.99 178.667 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -86.13 111.51 20.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 16.5 mm-40 -98.35 142.07 30.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.01 179.114 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -156.32 148.76 23.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.409 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -147.6 147.48 30.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.172 0.51 . . . . 0.0 111.334 -178.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 130' ' ' LEU . 67.8 mt -93.75 111.14 22.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.138 175.371 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -118.97 -173.46 2.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.58 -174.433 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 63.33 20.54 12.32 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.004 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.1 p -156.39 160.53 39.73 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.196 -178.396 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -100.86 -7.15 23.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.991 0.901 . . . . 0.0 108.897 178.176 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.542 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 8.6 m -79.46 111.7 15.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.112 175.623 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -75.22 -14.43 60.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 -170.33 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 62.2 m -119.19 17.02 13.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.88 0.371 . . . . 0.0 110.72 178.434 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 42' ' ' SER . 33.8 tt0 -159.24 114.31 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.692 -178.243 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.36 24.24 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.967 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -92.0 136.25 33.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 110.328 -179.101 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.7 tp -87.25 114.92 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.171 0.51 . . . . 0.0 111.75 -172.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 55.8 mt-10 -110.18 128.19 55.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.944 169.786 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.76 152.55 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.791 -177.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.505 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 88.6 t80 -99.03 117.37 33.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -107.96 179.33 4.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 171.004 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -57.76 -31.6 66.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.17 0.441 . . . . 0.0 111.804 -174.573 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.96 -20.89 34.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.534 -176.049 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.35 -151.11 23.19 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.524 -177.407 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.466 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.7 m95 -96.45 143.28 27.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 111.108 -175.709 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -145.91 143.86 29.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.406 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 75.1 mtp -83.19 140.11 32.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.054 178.87 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -103.42 135.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.958 -178.439 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -87.58 142.61 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.456 174.174 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.9 p -72.95 -2.54 21.36 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.867 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 -0.14 41.84 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.541 178.26 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -69.53 161.26 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.925 -176.083 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.97 29.36 18.97 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.689 175.598 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.32 36.68 79.11 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.964 175.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 60.7 mtt180 -87.0 102.74 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.873 0.368 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -88.15 2.02 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -114.34 174.92 5.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.423 -176.871 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -70.49 -49.97 42.87 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.759 177.052 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.474 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 3.8 t90 -92.31 145.64 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 174.103 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.06 57.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -170.52 100.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.13 171.411 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 62.0 Cg_endo -94.09 -2.32 2.93 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.174 2.583 . . . . 0.0 111.592 170.571 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.52 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 0.9 OUTLIER -63.51 -25.92 68.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.875 -167.985 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.21 -12.94 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -174.973 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.22 34.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.04 0.448 . . . . 0.0 111.243 -177.976 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -52.4 -56.19 16.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.212 -177.476 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.782 ' HD2' ' HA ' ' A' ' 29' ' ' TYR . 96.8 mttt -72.22 -10.71 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.051 -171.883 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 84.8 t -74.5 -56.31 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.017 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.8 -36.73 85.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.753 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 6.0 tp60 -63.19 -44.51 95.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.981 179.116 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.68 -5.45 53.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.762 -179.38 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 95.9 mt -97.48 2.09 49.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.727 0.298 . . . . 0.0 110.287 171.171 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.8 m120 64.09 39.57 7.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.145 -179.516 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 76.0 m -118.06 -178.98 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.939 177.357 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.77 178.99 52.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.597 175.36 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 133' ' ' LEU . 3.1 p-10 -61.85 149.07 86.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 0.0 111.822 -176.0 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.52 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 18.7 Cg_endo -58.55 121.85 10.66 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.441 2.761 . . . . 0.0 113.092 -175.83 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -41.96 6.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.886 -174.347 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.484 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 9.0 m -140.89 158.88 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.727 -176.622 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 130' ' ' LEU . 21.3 tp -153.27 174.13 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.5 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 121.86 -150.16 17.07 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.696 174.344 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -85.16 103.45 0.81 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.862 2.375 . . . . 0.0 112.048 179.27 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 1.047 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.4 t80 -83.68 -49.04 9.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.559 -174.015 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.549 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 73.8 mt -139.34 153.67 47.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 111.21 -176.69 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -98.06 66.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.044 178.73 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.3 m -57.69 -36.83 72.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.664 178.754 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 55.5 54.14 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.129 0.49 . . . . 0.0 110.619 173.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.1 m -144.9 87.32 7.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.525 -177.622 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 57.83 6.68 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 123.116 2.544 . . . . 0.0 112.1 -179.16 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -116.46 -26.95 6.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.797 -178.834 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 m -139.58 21.99 2.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.429 -178.138 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 p -101.77 143.58 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.143 -176.584 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.5 pt -124.07 156.06 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.055 0.455 . . . . 0.0 110.64 178.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tt -126.2 133.08 69.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.691 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -106.64 150.36 26.29 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.807 0.337 . . . . 0.0 111.438 -174.394 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -124.43 164.4 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.782 178.061 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.55 -125.8 8.49 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.917 175.252 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.9 134.22 41.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.659 0.266 . . . . 0.0 110.975 -175.185 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.19 113.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.896 179.721 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 114.63 -15.17 19.8 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.148 -179.253 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -97.52 130.58 44.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.067 0.461 . . . . 0.0 110.402 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.28 23.5 12.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.228 177.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.2 m -83.58 -14.65 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.714 -177.779 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.409 HD21 ' HA ' ' A' ' 116' ' ' ASN . 6.9 m120 -132.49 79.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 110.402 178.697 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.9 m -124.27 158.64 32.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.041 179.654 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.2 t -134.67 146.34 49.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -63.19 116.65 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.973 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 t -78.59 111.65 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -173.977 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -105.36 49.1 0.82 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.0 109.446 179.145 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -134.16 134.1 41.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.082 -178.547 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.31 -17.4 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 178.518 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 51.4 mtm -82.26 50.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.991 177.567 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 118.71 27.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.363 -177.459 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -100.18 129.94 46.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.649 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m -72.69 135.13 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.594 -174.331 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -73.28 126.49 30.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.683 -179.146 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 1.047 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.42 146.53 18.85 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.099 177.153 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 92' ' ' LEU . 61.2 tp -127.3 131.11 50.54 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 -178.34 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 38.4 m -113.55 108.91 17.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.753 174.377 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 43.2 m -86.67 157.54 19.65 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 176.181 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 2.9 tt -60.78 93.99 0.03 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 110.836 -176.511 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.602 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -140.06 154.36 47.05 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.614 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -70.73 1.78 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.704 0.288 . . . . 0.0 111.698 -178.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.57 -18.37 19.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.2 m-20 -66.98 140.89 96.32 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 21.2 Cg_exo -65.93 -22.25 56.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 111.811 176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.67 -17.09 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.633 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.2 t80 -72.77 128.9 36.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.382 0.61 . . . . 0.0 110.457 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -114.91 133.65 55.81 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.139 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.549 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -150.68 157.77 43.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.386 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -147.35 152.43 38.19 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.827 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.739 ' H ' HD21 ' A' ' 84' ' ' LEU . 83.9 mt -90.94 126.73 36.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 169.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -57.08 152.28 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.545 0.528 . . . . 0.0 111.425 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -43.75 -59.24 2.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.772 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t 48.85 -93.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.949 0.78 . . . . 0.0 112.729 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -138.47 -40.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.014 0.435 . . . . 0.0 110.075 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 48.2 t -136.08 142.27 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -4.73 41.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 111.146 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -112.87 17.6 18.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 51.4 tt0 -158.94 94.6 1.23 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.301 0.572 . . . . 0.0 110.432 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.63 -165.6 24.28 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.549 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -79.01 144.49 34.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -78.17 113.17 15.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.182 0.515 . . . . 0.0 110.53 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.86 120.58 42.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.43 154.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 111.761 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -93.49 117.1 29.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' ILE . 75.8 mt -105.47 -177.66 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.65 -45.33 81.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 3.8 m-20 -63.93 -47.16 81.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.756 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.18 -158.27 28.27 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.039 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.8 m95 -73.84 128.79 36.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.361 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 71.7 m80 -139.77 142.22 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.231 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 104' ' ' SER . 72.7 mtp -80.17 150.68 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.01 132.95 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.889 0.376 . . . . 0.0 110.354 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 t -90.85 136.62 32.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 p -79.95 41.85 0.53 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.636 0.731 . . . . 0.0 111.621 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -130.92 25.86 4.96 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -99.71 157.02 16.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.885 -169.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 59.51 23.23 11.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.978 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.41 26.2 74.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.599 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -102.59 146.38 28.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -90.86 159.01 16.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' PRO . 47.2 m -77.97 55.0 1.37 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.315 0.579 . . . . 0.0 111.882 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.21 147.44 43.78 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.58 115.6 5.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.967 0.413 . . . . 0.0 111.645 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.504 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 11.3 p90 -83.31 171.14 13.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.462 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.31 -9.48 57.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -165.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.639 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.8 t70 -122.66 106.45 34.76 Favored Pre-proline 0 C--N 1.327 -0.381 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.714 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -96.51 -8.98 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 0.0 112.659 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -69.99 -20.75 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.992 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.639 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 17.4 mm100 -63.19 -13.16 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.72 13.88 27.5 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.2 m -58.54 -41.57 85.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.998 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -62.47 -31.54 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.58 -47.11 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 78.8 m -57.86 -37.67 74.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 109.948 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.55 -37.73 87.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.169 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 83' ' ' ARG . 11.8 mmm180 -64.92 -26.73 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.739 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.2 mp -100.82 7.71 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.29 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.1 t30 58.98 44.44 16.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.7 m -109.92 -176.8 3.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.428 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.23 -158.09 33.89 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -64.58 149.96 94.59 Favored Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 122.716 0.406 . . . . 0.0 110.811 -177.631 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.3 Cg_exo -76.43 118.4 4.89 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.936 2.424 . . . . 0.0 112.426 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HD23 ' A' ' 133' ' ' LEU . 85.9 mt -79.78 -40.36 28.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.01 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -153.82 152.68 30.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.639 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.7 tt -147.22 114.1 6.12 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.98 -159.77 27.41 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.145 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HG3' ' O ' ' A' ' 68' ' ' SER . 47.1 Cg_endo -69.67 112.89 3.19 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.516 2.144 . . . . 0.0 112.002 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.608 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 50.2 t80 -113.1 92.59 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.016 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt 69.13 -178.23 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.769 0.668 . . . . 0.0 111.105 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 37.7 ttmt -130.31 92.08 3.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.221 -177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -79.65 -48.0 14.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.96 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.44 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 63.52 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.574 0.702 . . . . 0.0 112.714 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.6 m -150.15 82.13 6.55 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.182 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.34 68.71 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.95 3.1 . . . . 0.0 113.113 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 178.63 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -81.34 -35.55 30.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.766 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.5 p -82.42 132.97 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.091 0.472 . . . . 0.0 110.677 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.762 HD13 HD11 ' A' ' 52' ' ' LEU . 31.8 pt -119.94 163.19 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.647 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.5 mt -131.2 123.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.354 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.62 146.74 26.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.09 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -121.19 138.71 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.08 -119.54 2.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.666 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 132.86 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 tp -51.15 114.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.26 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.11 -20.11 10.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.188 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.9 t -89.01 128.5 35.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -113.95 32.05 6.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.287 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -74.18 84.32 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.36 79.23 0.26 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.155 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 58.9 m -87.69 164.36 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.427 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.2 m -104.89 159.57 15.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.753 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -74.21 148.64 41.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 p -75.21 72.31 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 111.495 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -87.83 60.45 5.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -137.97 163.68 30.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.202 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.45 20.24 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.6 ptp -155.07 68.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.271 0.558 . . . . 0.0 111.285 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 52.8 t -100.95 132.42 46.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.995 0.426 . . . . 0.0 109.892 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -121.33 151.52 40.01 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -78.98 136.53 37.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.769 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.14 127.44 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.17 145.69 16.68 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.639 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.639 HD13 ' HG ' ' A' ' 92' ' ' LEU . 61.6 tp -125.69 126.94 45.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.0 m -109.92 108.72 19.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.263 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.4 m -107.0 147.6 29.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.489 HD23 HD11 ' A' ' 90' ' ' LEU . 54.8 mt -61.71 155.22 23.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.48 0.181 . . . . 0.0 110.667 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 1.7 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 115' ' ' SER . 6.5 mp . . . . . 0 C--O 1.225 -0.226 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.9 m -97.0 154.23 17.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -74.08 24.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.115 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 79' ' ' LYS . 27.8 m-85 -132.57 17.21 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.341 171.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -99.73 143.24 26.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.25 -16.87 35.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.985 2.457 . . . . 0.0 112.57 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.57 -8.81 49.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.1 118.36 21.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.8 mm100 -104.44 137.84 41.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.183 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 159.45 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.82 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -153.02 155.66 37.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.16 126.33 51.96 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 77.2 p -62.7 153.69 31.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -80.24 50.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -74.35 -45.32 47.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.281 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 11.8 m120 -122.76 -62.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.963 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 t -152.99 -175.31 5.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.76 -33.42 73.87 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.372 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 82.4 m -97.56 18.85 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 10.5 pt20 -161.42 114.53 1.9 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 111.967 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.52 -161.3 31.07 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.418 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 6.0 mp0 -74.98 142.48 43.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 117.067 0.434 . . . . 0.0 109.927 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.66 106.05 16.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.159 0.504 . . . . 0.0 109.772 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -109.34 123.36 49.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.27 155.21 21.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 111.521 -172.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.4 t80 -92.51 107.39 19.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.133 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.75 HD11 HD13 ' A' ' 105' ' ' ILE . 70.3 mt -84.84 175.98 8.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.777 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.64 -38.43 69.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 109.691 177.187 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.34 -16.11 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.592 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.15 -179.6 21.34 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.686 -1.245 . . . . 0.0 113.819 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -71.23 130.03 40.39 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.955 0.502 . . . . 0.0 111.629 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -146.18 157.72 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.3 mtp -91.18 137.59 32.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.28 140.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 0.0 111.064 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 t -99.24 140.99 32.59 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 128' ' ' LEU . 79.6 p -67.46 -24.82 65.66 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.76 24.87 2.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.172 0.511 . . . . 0.0 110.846 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.3 t -79.83 161.47 25.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.948 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 56.96 30.42 18.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.865 0.466 . . . . 0.0 111.598 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.62 16.16 69.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.094 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -74.4 159.42 32.36 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 p -72.21 154.04 41.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.098 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 51.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.131 0.491 . . . . 0.0 111.09 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.621 ' HG2' ' H ' ' A' ' 70' ' ' GLN . 42.2 tttp -149.08 -169.28 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 10.3 tt0 -94.78 130.25 41.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -177.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -90.67 161.11 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.915 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.31 41.21 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.73 0.3 . . . . 0.0 111.688 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -155.62 80.23 4.15 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 0.0 110.195 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 93.6 Cg_endo -81.04 -10.18 12.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.556 2.17 . . . . 0.0 112.014 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 7.5 m -64.33 -11.86 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.042 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 34.4 mm-40 -59.02 -25.48 63.72 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.061 175.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.8 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.586 -176.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -54.37 -48.45 71.47 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.35 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 23.1 tptm -61.68 -38.19 86.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.231 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 97.7 t -63.51 -53.92 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.27 -45.9 91.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -62.11 -42.66 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.769 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.0 mmp_? -74.16 -18.15 60.82 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.936 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 80' ' ' VAL . 9.7 mp -88.27 11.72 15.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.412 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 65.31 37.09 6.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.955 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.2 m -116.77 163.66 15.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.119 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -151.54 25.87 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.235 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.9 m-20 -56.79 148.22 48.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.887 0.375 . . . . 0.0 111.645 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 5.7 Cg_exo -76.24 124.47 7.85 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.946 2.431 . . . . 0.0 111.336 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 133' ' ' LEU . 95.8 mt -88.64 -52.09 5.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 6.4 p -140.46 146.99 38.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.36 113.54 5.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.38 -144.85 8.92 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.841 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.65 103.84 1.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.243 1.962 . . . . 0.0 111.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.998 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 66.3 t80 -84.62 -49.82 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.383 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.9 tp -154.17 151.15 28.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -96.91 82.04 3.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.6 m -73.65 -32.16 63.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.453 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 70.67 -25.91 0.16 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.6 m -50.72 107.19 0.76 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 111.961 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 100' ' ' THR . 17.3 Cg_exo -68.23 -33.26 24.87 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.407 2.738 . . . . 0.0 112.533 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.696 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 60.2 tp60 -64.82 -32.66 74.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.053 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.7 m -88.27 -32.75 18.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.692 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.9 p -92.06 156.56 17.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.408 0.623 . . . . 0.0 112.147 -171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.75 HD13 HD11 ' A' ' 52' ' ' LEU . 24.8 pt -135.35 151.95 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.209 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 mt -119.97 116.36 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 158.77 15.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -131.56 155.33 47.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.83 -125.18 6.55 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.225 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -101.88 141.19 35.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.673 0.273 . . . . 0.0 110.879 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.44 101.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 129.66 -12.58 5.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.397 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.5 t -100.23 119.71 38.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -110.8 31.13 6.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.522 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 26' ' ' LEU . 45.6 m -62.01 -40.09 94.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.944 -172.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -154.93 95.92 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 110.39 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 27.4 m -98.71 151.46 20.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.211 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 m -93.23 135.5 34.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.817 0.342 . . . . 0.0 111.011 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.696 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 63.6 t-80 -57.53 125.6 23.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 174.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.5 t -69.94 92.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 0.0 110.94 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -89.88 53.23 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.34 150.89 24.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.36 22.39 10.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 81.0 mtp -109.28 17.25 21.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.238 0.542 . . . . 0.0 109.867 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.5 t -84.2 134.8 34.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.387 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -107.69 119.36 39.22 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -66.16 130.39 43.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 -174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.1 tt -80.32 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.262 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.998 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -123.99 151.16 17.07 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.954 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 60.8 tp -124.38 128.24 48.78 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 74.7 m -116.1 110.07 18.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.6 m -107.83 154.22 21.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 90' ' ' LEU . 30.1 mt -57.79 127.87 34.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.79 0.328 . . . . 0.0 110.524 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 32.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.423 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 29' ' ' TYR . 9.6 t -118.83 145.94 45.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 17.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.042 0.449 . . . . 0.0 111.887 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.611 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -121.31 6.17 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 177.361 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -95.76 142.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.178 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.93 -12.12 33.59 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.986 2.457 . . . . 0.0 112.766 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.89 1.73 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.339 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.1 117.51 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.2 mp0 -95.61 131.97 41.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.494 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.9 154.27 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.508 ' NH1' ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.96 156.47 42.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.7 mt -99.82 132.83 44.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.508 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 41.1 p -52.04 144.05 12.78 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.678 0.611 . . . . 0.0 111.531 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -75.25 54.18 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.424 0.631 . . . . 0.0 109.33 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -90.6 -66.92 0.88 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.065 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.39 -59.37 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.15 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 1.031 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 37.0 t -123.17 146.07 48.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 109.95 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 43' ' ' LYS . 19.9 ptmt -61.26 -22.8 65.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.756 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 69.3 m -118.64 25.58 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.425 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 1.031 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 28.4 tt0 -159.51 109.78 1.93 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.128 0.49 . . . . 0.0 111.253 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.54 -169.81 38.37 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.06 138.6 47.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 tp -80.0 116.67 20.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.977 0.418 . . . . 0.0 110.888 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.13 127.11 52.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.613 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.67 150.84 15.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -90.01 106.22 18.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.053 0.454 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.25 172.64 8.08 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -54.79 -32.17 59.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.904 0.383 . . . . 0.0 111.351 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.82 34.57 3.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.79 175.79 20.47 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.123 -1.036 . . . . 0.0 114.238 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 93.1 m95 -75.65 136.37 40.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.664 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -143.73 142.24 30.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.184 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.8 mtp -71.72 138.77 48.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.145 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.8 t -93.73 131.27 41.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.679 0.276 . . . . 0.0 110.327 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 98.3 m -81.24 141.25 34.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.102 173.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 128' ' ' LEU . 3.1 p -77.0 -3.49 39.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -86.88 7.15 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 m -69.66 150.78 46.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.278 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 60.61 22.41 12.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.497 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.4 47.69 61.82 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.574 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 5.4 mmp_? -103.9 131.14 51.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 110.819 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 m -83.0 175.38 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.686 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.64 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 5.0 p -80.24 55.67 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -133.23 148.59 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.063 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.42 101.03 9.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.487 ' HE1' HD23 ' A' ' 92' ' ' LEU . 39.8 p90 -75.58 146.95 40.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.973 0.416 . . . . 0.0 110.774 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.08 17.61 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -168.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -128.83 80.5 72.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.563 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.4 Cg_endo -85.82 -5.77 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.112 2.542 . . . . 0.0 110.499 169.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -18.27 65.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.459 -174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -74.27 -5.42 41.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.128 -0.357 . . . . 0.0 110.808 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.93 7.01 19.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.48 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m -56.36 -38.29 71.2 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.759 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.611 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 62.5 tttp -65.14 -35.71 81.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.898 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.41 -50.19 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -59.87 -39.34 84.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.398 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.06 -46.1 89.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.366 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 13.6 mmm180 -76.05 -15.16 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.451 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.77 6.29 42.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.479 . . . . 0.0 110.024 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 61.5 38.51 15.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.995 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.8 m -111.28 174.25 5.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.82 -128.03 2.38 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.067 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.03 151.91 73.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.646 0.378 . . . . 0.0 111.299 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 58.1 Cg_endo -80.1 102.31 1.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.666 2.244 . . . . 0.0 111.129 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -35.59 62.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.229 -174.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 m -152.76 151.54 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.903 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 51.3 tp -155.28 131.79 10.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.855 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.468 ' HA2' ' CH2' ' A' ' 71' ' ' TRP . . . 157.12 -156.05 26.9 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 17.3 Cg_exo -67.38 124.62 12.29 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.624 2.216 . . . . 0.0 111.981 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' A' ' 127' ' ' SER . 50.3 t80 -138.11 120.45 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.172 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.1 mt 69.64 120.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.911 0.862 . . . . 0.0 112.143 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -87.76 57.87 4.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.823 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.69 -34.52 74.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 70.14 -12.63 0.48 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.75 0.82 . . . . 0.0 113.072 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -51.75 101.79 0.28 Allowed Pre-proline 0 N--CA 1.467 0.399 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -93.51 21.94 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.224 2.616 . . . . 0.0 112.625 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -104.54 -10.43 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.39 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -126.26 -17.59 5.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.728 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.506 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 79.6 p -92.98 146.28 23.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.371 0.605 . . . . 0.0 112.218 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.1 pt -123.27 144.53 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.463 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.11 124.94 70.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -110.2 151.81 26.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.043 0.449 . . . . 0.0 110.858 -173.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -123.08 168.19 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.925 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.55 -125.54 6.54 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.85 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -125.56 149.23 48.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.58 112.03 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.787 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.72 -12.36 27.55 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.684 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -108.63 122.91 48.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.51 43.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.217 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.1 m -67.8 -53.58 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.952 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.29 80.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 111.032 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 30.7 m -103.66 127.17 51.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.034 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -111.4 147.6 34.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -68.83 123.25 20.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -66.55 121.55 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.758 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -117.16 36.37 4.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -126.34 139.79 53.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.41 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -87.88 22.17 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.688 0.28 . . . . 0.0 111.448 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.1 mtp -132.39 29.12 4.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.598 0.237 . . . . 0.0 111.209 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 110.5 17.8 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.01 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.58 132.68 34.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.776 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 11.1 m -69.16 151.58 46.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.608 HD21 HD11 ' A' ' 92' ' ' LEU . 8.7 tt -96.31 120.56 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -109.18 139.24 15.19 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.334 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 62.6 tp -123.3 121.56 36.14 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.1 m -103.81 104.92 14.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.249 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 16.2 m -99.17 138.25 36.53 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.97 116.94 10.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 3.3 mp0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.262 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -127.52 148.22 50.33 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.04 7.61 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.448 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 54.7 m-85 -96.48 -10.4 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.78 136.85 96.94 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.495 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.86 -18.14 46.97 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.14 2.56 . . . . 0.0 113.185 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -113.54 20.9 15.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -79.26 96.81 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 54.2 mt-30 -76.26 120.73 21.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.755 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.95 154.94 47.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.929 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -145.54 153.5 41.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' H ' HD21 ' A' ' 84' ' ' LEU . 94.7 mt -108.03 134.01 51.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 p -65.07 164.4 13.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.424 0.63 . . . . 0.0 112.626 -173.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -77.59 47.47 0.6 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.345 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -77.51 -64.75 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -117.29 -64.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.557 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 41.8 m -147.33 174.81 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -77.08 7.03 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.999 0.428 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.5 -7.41 15.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.485 HE21 ' HB3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -155.78 119.27 4.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 111.429 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.66 -159.87 29.81 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.343 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' HG3' HD22 ' A' ' 96' ' ' LEU . 93.9 mt-30 -74.61 131.4 40.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.988 0.394 . . . . 0.0 110.025 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -82.81 105.89 14.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.89 128.39 54.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.93 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.23 146.28 14.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.314 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.582 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 46.5 t80 -95.89 91.12 5.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.065 0.46 . . . . 0.0 110.247 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -90.96 -172.79 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -66.89 -26.99 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.104 0.478 . . . . 0.0 110.025 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.686 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.24 -170.14 19.32 Favored Glycine 0 C--O 1.237 0.283 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.149 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.15 132.38 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -143.37 137.9 29.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.222 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.3 mtp -76.03 124.86 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.17 126.92 39.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.26 134.4 34.13 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.488 ' HA ' HD13 ' A' ' 128' ' ' LEU . 18.4 m -48.74 -54.94 12.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 5.4 pm0 -81.07 56.7 2.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.736 0.779 . . . . 0.0 111.674 -174.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -102.2 159.31 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.123 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 60.84 -84.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.531 0.732 . . . . 0.0 111.689 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.57 31.25 0.93 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.314 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 32.7 mmt-85 -98.93 134.85 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.125 0.488 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -112.88 -177.21 3.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.381 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -82.81 58.99 4.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 151.34 10.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -71.71 126.11 28.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.499 ' HD1' ' H ' ' A' ' 73' ' ' ASP . 26.3 t-105 -85.28 158.45 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.455 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 35.9 mt-10 -60.15 -37.75 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' H ' ' HD1' ' A' ' 71' ' ' TRP . 15.3 t70 -113.88 97.86 45.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 111.674 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 72' ' ' GLU . 55.3 Cg_endo -100.94 9.05 0.57 Allowed 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.759 2.973 . . . . 0.0 112.14 172.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 5.6 m -76.75 -3.84 40.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.898 -173.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -69.19 -16.2 63.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.438 . . . . 0.0 110.844 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.22 15.88 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -58.55 -40.68 83.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.567 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 22.1 tptm -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.738 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.94 -46.33 85.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.35 . . . . 0.0 110.131 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.2 m -57.54 -38.3 74.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.231 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -68.23 -36.54 79.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.9 mmm180 -61.47 -30.09 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.707 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD21 ' H ' ' A' ' 37' ' ' LEU . 8.0 mp -102.04 9.49 40.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.826 0.346 . . . . 0.0 111.32 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 57.4 45.36 20.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.018 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -112.48 -178.43 3.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.018 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.29 -164.86 36.94 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.608 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.24 149.82 90.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 60.2 Cg_endo -78.7 120.61 4.79 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.699 2.266 . . . . 0.0 112.437 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.28 -52.66 6.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 p -139.94 154.81 47.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 130' ' ' LEU . 51.8 tp -144.32 94.58 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.12 -158.66 9.48 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.791 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.67 79.48 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 123.292 2.661 . . . . 0.0 111.8 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' HB3' HD12 ' A' ' 96' ' ' LEU . 21.5 t80 -77.37 -49.8 14.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.841 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.8 mp -106.44 144.27 33.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.26 0.552 . . . . 0.0 110.949 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.529 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.5 mttm -118.58 67.11 0.77 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.893 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -91.77 -28.88 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.995 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 91.4 m-85 61.58 20.09 10.96 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.1 m -72.39 108.6 4.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.21 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 95.5 Cg_endo -92.29 58.53 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.207 2.605 . . . . 0.0 111.997 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.94 -53.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.111 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -90.97 -0.53 57.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.3 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.7 p -101.08 151.34 21.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.525 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.0 pt -133.35 152.28 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.033 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.19 125.24 73.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -110.09 146.51 35.28 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.997 -174.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -109.32 162.32 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.984 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.47 -106.3 0.98 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.145 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.48 153.33 41.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.39 108.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.69 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.66 -2.29 32.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.27 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.7 t -104.78 95.83 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.225 0.536 . . . . 0.0 110.404 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.27 62.23 5.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 t -99.01 -64.31 1.05 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.711 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -108.49 88.67 2.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.177 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.0 m -108.07 138.18 44.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.759 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 p -117.84 158.17 25.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.124 0.488 . . . . 0.0 111.025 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -66.17 127.19 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.036 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 t -70.14 110.85 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.608 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -94.27 4.06 54.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.502 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.77 133.93 50.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.05 0.452 . . . . 0.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.0 12.2 22.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.694 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -102.06 18.8 19.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 48.8 t -66.01 115.06 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.052 -176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -87.4 135.22 33.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.126 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 12.8 m -79.28 118.24 21.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 61' ' ' SER . 33.0 tp -64.32 120.56 12.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -114.77 124.25 6.31 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.51 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 92' ' ' LEU . 55.9 tp -103.29 117.43 34.49 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.2 m -98.41 86.84 3.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.5 m -85.49 147.72 26.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -58.98 128.46 37.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.7 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' HE3' ' A' ' 53' ' ' LYS . 74.6 mt . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.7 t -153.99 150.51 28.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.36 29.69 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 111.28 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 27' ' ' SER . 42.7 m-85 -122.93 3.37 9.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.918 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.2 m-20 -108.23 147.93 36.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.354 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 8.0 Cg_exo -73.2 -8.94 22.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.491 2.794 . . . . 0.0 113.165 -175.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -108.21 19.7 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.678 0.275 . . . . 0.0 110.978 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -96.1 118.06 31.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -109.18 134.64 51.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.61 162.83 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.47 166.84 30.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.75 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 43' ' ' LYS . 97.6 mt -107.32 147.73 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 172.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.4 p -76.92 163.18 26.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 110.773 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 ptm180 -84.51 78.25 9.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.489 0.661 . . . . 0.0 111.568 -170.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -83.15 -53.25 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.139 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -157.62 -59.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.122 0.487 . . . . 0.0 110.221 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -124.88 150.08 46.86 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.99 -5.68 36.67 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -170.249 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.99 -4.22 56.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.362 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -145.68 115.34 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.186 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.32 -163.06 29.13 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.286 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 57.0 mt-30 -91.56 139.04 31.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.85 122.48 24.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.22 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -123.53 126.45 46.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 155.37 23.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.147 0.499 . . . . 0.0 111.856 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -85.51 108.85 18.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.757 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 105' ' ' ILE . 94.8 mt -87.14 -167.81 2.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.6 tppp? -67.78 -21.02 65.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 110.591 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.462 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.67 18.38 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.875 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.64 125.24 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.725 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -138.85 145.57 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.68 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.07 139.54 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.265 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.49 130.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 0.0 110.279 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 t -89.94 136.8 32.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -72.28 -2.48 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.73 39.3 1.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.221 1.01 . . . . 0.0 109.144 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.2 m -107.28 150.13 27.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.343 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.5 26.65 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.669 0.606 . . . . 0.0 111.719 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.17 66.11 2.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.361 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.504 HH21 HD22 ' A' ' 111' ' ' LEU . 45.1 mmt-85 -130.19 129.7 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 110.902 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -70.71 162.2 29.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.672 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -77.78 49.49 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.929 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -147.16 146.15 29.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.431 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.77 120.45 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.244 0.34 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.455 ' CZ3' ' HB3' ' A' ' 66' ' ' ARG . 12.7 p90 -92.48 -176.24 4.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.194 0.521 . . . . 0.0 111.591 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -82.92 -29.53 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -160.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -125.78 95.33 40.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.664 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -94.38 -4.32 2.53 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.974 2.45 . . . . 0.0 112.718 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 19.1 m -72.56 -4.51 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -62.84 -19.16 63.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.233 0.54 . . . . 0.0 110.859 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.15 12.22 36.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.003 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 m -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.3 mtmp? -63.45 -35.03 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.34 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.22 -49.38 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.5 m -55.62 -42.87 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.409 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.78 -39.5 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.232 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 16.8 mmm180 -68.16 -19.49 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.273 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.52 9.69 42.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.624 0.25 . . . . 0.0 110.935 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 m120 63.22 41.06 8.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.349 0.595 . . . . 0.0 110.981 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -118.7 167.97 11.16 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.529 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.85 -152.04 27.92 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.939 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 5.5 m-20 -56.13 146.32 51.33 Favored Pre-proline 0 N--CA 1.465 0.296 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.9 Cg_exo -75.79 114.45 3.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.208 2.606 . . . . 0.0 111.7 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD11 HD12 ' A' ' 133' ' ' LEU . 89.9 mt -82.11 -37.66 25.98 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.669 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.3 m -151.14 147.7 27.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 130' ' ' LEU . 8.3 tt -151.32 110.85 3.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.48 -148.94 9.04 Favored Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.77 119.18 5.58 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.124 1.883 . . . . 0.0 111.907 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.614 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 41.2 t80 -145.09 119.5 9.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.77 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tt 57.91 90.98 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.011 0.819 . . . . 0.0 110.911 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -78.83 88.47 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -71.06 -13.81 62.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.008 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.496 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 69.8 t80 59.3 73.65 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.151 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 p -124.62 64.82 41.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.145 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.66 ' HB2' ' HD2' ' A' ' 121' ' ' ARG . 6.1 Cg_exo -74.25 2.64 5.96 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.942 2.428 . . . . 0.0 111.761 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -103.76 12.5 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.502 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.2 m -146.73 -22.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.2 p -87.07 149.58 24.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.076 0.465 . . . . 0.0 111.623 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.961 HD13 HD11 ' A' ' 52' ' ' LEU . 35.0 pt -130.28 146.31 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.867 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.06 117.14 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -96.33 152.83 18.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.983 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.42 161.2 20.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.87 -158.21 14.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.339 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -82.34 144.33 30.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.691 0.281 . . . . 0.0 110.518 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.504 HD22 HH21 ' A' ' 66' ' ' ARG . 61.4 tp -51.26 100.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.554 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 132.67 -26.05 3.69 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.359 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -84.6 109.02 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.185 0.517 . . . . 0.0 110.982 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -93.64 41.62 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.555 0.693 . . . . 0.0 109.337 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 p -79.85 -48.33 13.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.714 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -123.87 112.12 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 55.9 m -130.77 142.95 50.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.358 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 t -122.34 136.93 54.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -77.7 119.38 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.04 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.7 m -108.51 116.89 32.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 0.0 111.432 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 101' ' ' PRO . 9.4 mmm180 -103.1 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -163.41 157.85 20.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -79.6 22.24 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.094 0.473 . . . . 0.0 111.974 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.2 mtt -91.95 -4.27 54.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.541 0.686 . . . . 0.0 109.441 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.0 t -88.82 136.23 33.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.736 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -118.13 131.46 56.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.5 m -64.09 129.51 40.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.676 0.274 . . . . 0.0 110.632 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 47' ' ' GLN . 7.5 tt -83.74 113.15 20.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -98.45 126.0 8.74 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.778 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 92' ' ' LEU . 52.3 tp -108.42 118.59 37.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.0 m -108.33 96.23 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 34.9 m -92.53 152.32 19.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.55 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 90' ' ' LEU . 10.7 tp -68.8 140.23 55.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.713 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD22 ' A' ' 52' ' ' LEU . 96.4 mt . . . . . 0 C--O 1.224 -0.282 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -113.09 151.19 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 10.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.948 -175.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -94.45 -18.09 21.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 109.947 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.51 131.83 89.73 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.43 -19.15 38.08 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.636 2.224 . . . . 0.0 112.514 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.06 -0.86 49.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.829 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -76.45 106.42 8.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 78.2 mt-30 -86.47 134.65 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.04 146.22 26.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.572 ' NH1' HH22 ' A' ' 39' ' ' ARG . 10.2 ptp180 -141.02 158.45 43.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.553 . . . . 0.0 111.054 -177.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.35 134.15 46.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 55.7 p -50.59 142.12 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.596 0.56 . . . . 0.0 111.63 -178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -69.63 63.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.884 176.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -86.93 -78.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.054 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -101.88 -52.15 3.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.0 110.295 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.543 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.7 t -151.1 172.0 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.646 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -65.07 -23.79 67.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 123.291 0.369 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 134' ' ' GLU . 73.3 m -93.31 -1.46 55.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -172.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.543 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -154.98 130.24 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.746 176.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.41 -161.09 33.43 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.45 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.4 tm0? -82.81 144.52 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.81 113.08 23.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 111.977 -173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -108.84 127.56 54.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.356 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.27 149.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 75.2 t80 -99.09 101.33 12.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.926 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 26' ' ' LEU . 82.1 mt -100.28 -158.8 0.7 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.406 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -69.78 -32.48 70.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 111.244 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -83.59 -16.17 46.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.67 -141.46 13.61 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.264 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.4 m95 -82.52 128.69 34.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 111.154 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -136.57 133.41 36.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.43 178.68 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HE1' ' HB ' ' A' ' 98' ' ' THR . 60.4 mtp -73.8 137.37 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.6 t -96.37 138.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.8 m -99.71 151.75 20.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HA ' HD13 ' A' ' 128' ' ' LEU . 6.7 m -73.45 -6.29 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.746 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -87.56 22.51 2.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 109.351 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -102.64 151.64 22.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.763 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 55.4 32.56 19.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.164 0.585 . . . . 0.0 112.056 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.78 30.42 72.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.174 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -97.59 164.86 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.966 0.383 . . . . 0.0 109.968 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.5 m -147.34 -163.33 1.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -61.13 -34.37 74.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.441 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 51.7 tptt -123.41 86.57 2.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.064 0.459 . . . . 0.0 110.971 -178.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 69' ' ' LYS . 28.6 mt-30 -153.62 84.11 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.115 172.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.404 ' CZ3' ' HB3' ' A' ' 91' ' ' SER . 78.4 m95 -118.89 69.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.476 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.725 ' HG3' ' H ' ' A' ' 73' ' ' ASP . 7.9 pt-20 -105.64 -77.55 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.649 -0.42 . . . . 0.0 112.112 -175.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.725 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 13.2 t70 -117.93 98.17 51.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 122.31 -0.244 . . . . 0.0 110.978 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -98.54 -2.75 1.02 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.413 2.742 . . . . 0.0 112.834 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -66.64 -17.7 64.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.254 -171.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -62.87 -24.51 67.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.759 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 19.54 6.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.545 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.508 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.2 p -57.49 -35.51 70.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.69 -33.6 73.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.34 -54.26 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.18 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.4 m -62.21 -39.29 92.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.501 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -58.81 -48.73 80.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -71.69 -20.8 61.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.68 0.276 . . . . 0.0 111.437 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.91 4.91 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.3 t30 61.26 48.36 6.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.623 0.725 . . . . 0.0 110.773 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 71.1 m -133.52 163.38 29.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.572 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 132' ' ' CYS . . . -73.86 177.12 45.23 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.298 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 146.52 75.02 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.417 0.627 . . . . 0.0 112.67 -172.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HB3' HD21 ' A' ' 130' ' ' LEU . 29.6 Cg_endo -63.87 103.72 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 113.008 -175.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HG ' ' A' ' 133' ' ' LEU . 88.6 mt -67.84 -40.99 83.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.908 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 71' ' ' TRP . 23.5 m -146.43 150.0 34.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -150.93 115.31 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.66 -154.85 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.619 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.67 73.25 3.56 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.497 2.131 . . . . 0.0 112.391 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 42.9 t80 -71.38 -44.94 64.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.786 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.577 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 96.2 mt -132.02 178.38 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.67 87.93 1.96 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.281 0.562 . . . . 0.0 109.971 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.482 ' HB ' ' HE1' ' A' ' 58' ' ' MET . 20.6 m -86.34 111.97 20.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.18 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.25 69.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.4 m -130.62 76.23 77.7 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.034 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.39 60.55 7.08 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.365 2.71 . . . . 0.0 112.563 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -152.87 -35.31 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.1 m -109.14 24.31 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' MET . 27.0 m -118.56 152.48 35.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.322 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 57' ' ' HIS . 34.6 pt -129.95 156.84 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.338 0.589 . . . . 0.0 111.806 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -123.98 125.96 71.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.9 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.47 154.52 31.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.731 0.3 . . . . 0.0 110.215 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -143.62 152.08 40.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.63 -113.58 1.37 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -111.18 131.69 54.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.739 0.304 . . . . 0.0 110.218 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.7 tp -52.02 110.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.968 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.88 -19.58 7.37 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.405 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -101.05 122.76 44.12 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.979 0.419 . . . . 0.0 110.346 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.403 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 90.4 m-85 -106.8 24.84 12.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.205 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.9 m -78.0 -13.93 59.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.577 -173.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -147.43 75.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.238 0.542 . . . . 0.0 110.047 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 15.3 m -115.39 154.44 29.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.559 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.5 m -111.17 159.45 17.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.72 136.57 33.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.941 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -108.49 118.48 36.88 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.618 0.723 . . . . 0.0 111.816 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 32.27 6.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.84 171.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -97.05 131.34 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.72 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.89 -23.3 65.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.204 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -94.8 29.06 2.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.458 . . . . 0.0 110.618 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 89.64 6.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -61.0 129.2 40.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 m -80.6 129.82 34.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.007 0.432 . . . . 0.0 111.233 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' SER . 17.9 tp -79.59 132.63 36.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.37 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -129.92 153.02 19.85 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.824 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.2 tt -130.5 135.11 47.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.54 ' N ' HD23 ' A' ' 130' ' ' LEU . 25.6 m -112.5 98.86 7.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.844 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.58 ' SG ' HD22 ' A' ' 130' ' ' LEU . 10.2 m -94.1 153.73 17.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.36 133.38 46.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 177.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 2.9 mp0 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.827 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.9 m -159.99 146.84 16.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -78.36 12.12 2.09 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.219 -177.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CE2' ' HA3' ' A' ' 112' ' ' GLY . 69.6 m-85 -100.05 -3.67 31.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.435 172.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 73.1 m-20 -97.2 127.13 39.51 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.799 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 33.1 Cg_exo -59.72 -22.12 66.17 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.401 2.734 . . . . 0.0 113.845 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.52 -0.08 57.25 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.475 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -71.94 131.44 42.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.723 0.297 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -112.17 132.41 54.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.94 163.74 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.339 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -144.15 162.7 35.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -118.85 135.89 54.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -56.38 146.26 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.372 0.42 . . . . 0.0 111.036 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -72.01 78.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -96.1 -152.6 0.38 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.747 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -56.34 -58.89 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.294 . . . . 0.0 111.344 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.915 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 17.3 m -89.02 143.05 27.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 134' ' ' GLU . 9.9 ptpp? -70.23 -15.85 62.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.29 -172.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 3.7 t -126.28 43.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 109.48 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.915 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 0.3 OUTLIER -147.93 130.94 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.717 178.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.55 -157.12 28.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.499 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -73.68 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -85.75 109.12 18.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.947 0.404 . . . . 0.0 110.539 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -110.61 121.12 44.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.38 155.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.945 0.402 . . . . 0.0 111.041 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -84.82 97.55 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.801 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 14.7 tp -100.33 -171.47 2.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.364 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.801 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 13.4 tmtt? -54.96 -45.67 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -89.87 24.46 2.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.67 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.54 -163.17 32.31 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.551 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.6 m95 -61.88 122.65 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.287 -176.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -140.28 149.1 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.71 ' HE3' HG21 ' A' ' 98' ' ' THR . 31.9 mtp -83.54 133.5 34.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.763 -176.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.72 129.91 36.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.797 0.332 . . . . 0.0 110.42 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -95.77 156.26 16.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 p -81.67 9.85 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -108.93 44.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.898 0.856 . . . . 0.0 108.731 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -113.08 147.63 36.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.534 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 58.8 21.63 9.22 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.336 0.655 . . . . 0.0 112.135 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.22 29.28 68.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.191 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -116.52 82.13 1.74 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -99.24 44.46 1.02 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.711 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -103.13 159.22 15.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 67.2 mttm -94.16 -14.81 25.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -172.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -168.02 143.07 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -125.77 157.79 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.73 35.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 109.208 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.6 77.53 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.282 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -84.88 -2.82 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.756 2.304 . . . . 0.0 111.676 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.733 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 16.7 m -87.23 16.48 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.986 -174.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -70.45 -17.95 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 0.0 110.21 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.12 36.49 3.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.245 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 50.3 m -56.93 -37.26 71.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.878 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.94 -22.28 65.95 Favored 'General case' 0 C--N 1.334 -0.109 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.25 -51.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -61.59 -35.98 79.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.777 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.4 mm-40 -64.24 -40.69 96.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.017 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -63.48 -28.79 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.442 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.11 -1.41 57.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.76 0.314 . . . . 0.0 110.993 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.71 41.18 4.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.23 -178.05 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.65 -155.03 9.51 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.35 176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.67 157.25 87.78 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.891 0.346 . . . . 0.0 111.063 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.733 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.4 Cg_exo -73.94 113.83 3.88 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.833 2.356 . . . . 0.0 112.081 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.44 -42.53 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.285 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -147.84 151.71 36.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -152.39 126.13 8.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.17 -175.75 42.24 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.222 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.662 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 26.9 Cg_exo -61.89 103.34 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.887 2.392 . . . . 0.0 111.692 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.482 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.4 t80 -99.29 -68.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.913 -171.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.2 tp -113.64 151.68 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 111.505 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 138.3 37.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.528 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.71 HG21 ' HE3' ' A' ' 58' ' ' MET . 14.4 t -144.28 151.3 39.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -109.38 58.34 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.502 0.668 . . . . 0.0 110.904 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.5 m -143.73 79.74 13.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.739 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.19 57.69 6.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.366 2.711 . . . . 0.0 112.277 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -144.33 -41.07 0.26 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.258 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.4 p -78.18 -10.74 59.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.542 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' MET . 11.5 p -89.91 143.31 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.881 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.94 154.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.384 0.612 . . . . 0.0 111.959 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 mt -118.72 130.82 73.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.715 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.9 OUTLIER -118.93 153.15 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.684 -0.407 . . . . 0.0 109.948 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.2 168.48 19.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.35 -102.47 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.485 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -124.66 137.04 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -52.29 116.08 2.06 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.674 0.608 . . . . 0.0 111.548 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 108.33 -13.52 36.55 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.537 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -98.95 132.06 44.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.193 0.521 . . . . 0.0 110.762 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.571 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 94.7 m-85 -114.15 39.45 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.031 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -60.4 -44.01 96.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.175 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -150.44 94.28 2.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.006 0.432 . . . . 0.0 110.224 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.3 m -108.52 148.76 29.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 t -124.43 175.46 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -62.29 139.4 58.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.677 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -81.21 62.99 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.914 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 121' ' ' ARG . 0.8 OUTLIER -79.65 91.47 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -144.72 166.61 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.019 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -59.45 -41.12 88.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.613 0.642 . . . . 0.0 111.025 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.38 166.32 18.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.7 t -158.54 97.71 1.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.459 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.94 128.39 35.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -70.24 132.5 45.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.45 125.74 27.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.468 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -114.44 144.83 18.45 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.707 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.6 tt -129.26 142.4 50.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.601 ' N ' HD23 ' A' ' 130' ' ' LEU . 87.3 m -119.79 109.17 15.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.651 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 52.1 m -101.31 154.33 18.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.59 90.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.556 0.217 . . . . 0.0 111.544 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.559 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 10.8 tp10 . . . . . 0 C--O 1.251 1.161 0 O-C-N 124.078 0.861 . . . . 0.0 109.347 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HG ' ' A' ' 115' ' ' SER . 87.2 mt . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.2 t -143.68 152.81 41.79 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.02 32.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.123 0.487 . . . . 0.0 111.86 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' A' ' 27' ' ' SER . 62.9 m-85 -125.28 3.41 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.954 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 42.2 m-20 -109.62 138.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 23.3 Cg_exo -65.38 -21.1 61.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.26 2.64 . . . . 0.0 112.673 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.53 -7.1 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -83.62 81.38 8.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.339 0.59 . . . . 0.0 109.529 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.6 129.23 36.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.06 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -140.5 158.08 44.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -149.82 153.73 37.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.274 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.1 mt -107.03 124.95 50.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.497 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.575 ' HA ' HH11 ' A' ' 39' ' ' ARG . 43.5 p -65.74 148.27 52.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.575 HH11 ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -75.62 60.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.159 0.504 . . . . 0.0 110.723 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -69.35 -42.36 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.67 -48.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.654 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -143.82 174.16 11.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.16 -8.05 56.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.498 -174.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 13.2 t -127.99 31.03 5.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 0.0 109.105 173.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -154.68 98.99 2.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.05 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.86 -151.48 11.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.983 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.26 142.38 39.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.47 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.54 126.52 52.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.003 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -117.45 151.2 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.614 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -82.9 101.27 10.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.702 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.16 -173.49 3.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.121 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -79.23 56.08 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 0.0 110.305 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -172.6 -40.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.737 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.52 -141.97 7.51 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.0 m95 -92.68 121.12 33.77 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.097 0.448 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.421 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -125.31 139.96 53.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.779 -178.006 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.8 mtp -80.25 131.34 35.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.503 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.88 123.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -95.68 140.35 30.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -66.68 -10.38 45.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.812 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -84.18 44.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 109.707 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -123.08 155.84 36.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.08 19.64 8.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.031 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.55 21.09 77.85 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.703 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -89.16 147.07 24.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.189 0.519 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -87.86 173.05 9.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.3 t -79.24 54.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.206 0.527 . . . . 0.0 110.649 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -147.2 167.53 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -90.51 128.77 36.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -95.17 170.1 9.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.582 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -84.7 48.97 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -167.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.558 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 10.1 t70 -170.3 90.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 171.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.05 -11.27 8.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.593 2.195 . . . . 0.0 110.972 170.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 m -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.925 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.558 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 15.2 mm100 -56.42 -24.23 43.68 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.87 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.75 7.23 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.0 p -59.76 -34.92 73.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.65 -39.12 93.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.675 178.549 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.02 -50.41 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.092 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.5 m -56.14 -39.6 72.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.666 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.42 -42.58 96.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.592 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -68.01 -25.38 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.06 7.51 37.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.672 0.272 . . . . 0.0 110.908 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.9 28.25 12.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.696 0.76 . . . . 0.0 110.561 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.46 172.19 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.977 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -138.4 4.59 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.812 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.95 155.76 90.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.408 . . . . 0.0 111.008 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.5 115.79 4.46 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.032 2.488 . . . . 0.0 111.701 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.2 -48.7 32.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.407 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.7 p -154.14 143.44 21.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.676 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 130' ' ' LEU . 7.9 tt -141.66 145.27 34.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.98 -158.66 28.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.417 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.49 117.67 5.21 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.324 2.016 . . . . 0.0 111.366 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 65.0 t80 -137.97 123.32 19.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.8 tp 73.85 125.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.176 0.923 . . . . 0.0 111.398 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 48.8 mtmt -91.14 73.32 6.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.717 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.54 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.997 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 55.9 m-85 49.33 62.19 2.75 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.939 0.399 . . . . 0.0 111.106 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 m -121.95 89.78 48.37 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.784 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.59 50.69 3.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.141 2.561 . . . . 0.0 112.647 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 48.3 mt-30 -144.75 -62.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.151 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.9 m -81.72 -5.06 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.776 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -102.89 151.34 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.564 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 57' ' ' HIS . 21.3 pt -124.06 151.09 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 111.092 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.9 mt -113.83 118.85 59.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.194 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 82.6 m -97.42 138.94 34.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.712 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -114.49 133.11 56.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.02 -148.7 16.83 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.452 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.31 136.03 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.985 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.84 121.42 11.1 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.448 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -18.17 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.923 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -96.6 116.64 29.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.15 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -107.12 12.91 27.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.241 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 30.3 m -80.07 3.27 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.186 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -149.11 81.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 40.7 m -127.08 150.16 49.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.458 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 m -125.44 157.87 35.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 64.7 t60 -56.77 130.57 46.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.232 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -73.28 101.41 3.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.034 0.445 . . . . 0.0 109.9 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 6.2 tpm_? -93.23 27.11 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.523 0.678 . . . . 0.0 109.78 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -134.13 117.44 16.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.268 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.75 -41.37 92.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.787 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.1 ptp -82.65 56.77 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.382 0.611 . . . . 0.0 111.597 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -119.13 143.0 47.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.691 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -100.47 138.57 37.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.6 m -79.98 146.48 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tt -84.28 120.45 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.102 0.477 . . . . 0.0 109.902 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.702 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.83 146.42 16.07 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 92' ' ' LEU . 63.3 tp -134.49 130.36 36.56 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.2 m -115.23 113.4 23.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.866 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 59.2 m -101.4 148.29 25.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.7 mt -69.42 94.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.059 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.622 ' N ' ' HG ' ' A' ' 115' ' ' SER . 95.6 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -133.49 160.04 38.62 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 20.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 111.578 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -111.19 -11.4 14.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.828 172.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -86.43 140.79 34.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.0 -10.8 25.0 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.939 2.426 . . . . 0.0 112.118 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.17 5.17 52.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.797 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -101.96 137.12 40.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -128.29 139.69 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.18 156.22 41.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.769 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -143.52 153.05 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.548 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.76 125.99 47.27 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.8 p -66.1 161.7 21.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.252 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.13 -67.77 0.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.346 0.404 . . . . 0.0 110.735 -174.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t 54.64 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.483 0.489 . . . . 0.0 111.473 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -115.57 -39.15 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -162.89 160.57 25.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.674 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.48 -2.35 13.68 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.682 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 48.9 t -121.22 14.58 11.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.736 0.779 . . . . 0.0 109.642 176.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -156.08 89.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.815 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.82 -163.83 20.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.386 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.529 HE21 ' HB3' ' A' ' 95' ' ' PHE . 2.4 mp0 -74.5 146.37 42.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.51 108.01 18.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.035 0.445 . . . . 0.0 110.336 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.02 127.82 56.0 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.56 154.01 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.262 0.553 . . . . 0.0 112.193 -171.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 15.6 t80 -109.42 110.49 21.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -93.01 -67.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.119 0.485 . . . . 0.0 110.13 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -162.55 -38.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -64.5 -45.65 86.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.023 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 162.55 -140.37 6.5 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -102.35 124.97 48.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.941 0.401 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -138.13 147.52 44.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.3 mtp -86.46 144.84 27.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.808 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 140.2 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.67 0.271 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 11.3 m -96.09 154.68 17.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.749 177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.597 ' HA ' HD12 ' A' ' 128' ' ' LEU . 16.4 m -83.86 41.31 0.79 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -139.1 32.46 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . 57.7 m -98.72 146.28 26.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.367 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 60.79 25.69 15.55 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.683 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.82 18.91 79.15 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.322 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -95.89 127.18 41.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.939 0.399 . . . . 0.0 110.274 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 165.99 12.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.337 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 24.8 t -77.88 52.39 1.04 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 110.697 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.2 162.09 29.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -84.3 104.34 14.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.535 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 17.6 p90 -74.17 162.77 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.793 0.806 . . . . 0.0 112.101 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.57 -25.78 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.314 -165.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -128.79 87.34 55.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.243 0.544 . . . . 0.0 111.94 -175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.902 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.0 Cg_exo -82.13 -3.66 11.65 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.249 2.633 . . . . 0.0 111.84 174.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.5 m -59.04 -26.16 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.415 -173.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -69.03 -5.67 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.429 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.3 17.72 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.996 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 p -54.9 -38.54 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.265 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -62.21 -30.62 71.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.37 -47.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.25 -39.77 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.806 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.68 -39.5 91.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -63.92 -28.7 70.01 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.808 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -91.66 8.23 37.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 60.17 48.03 8.73 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.782 0.801 . . . . 0.0 110.948 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.52 179.77 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.13 -148.12 15.09 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.982 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.83 152.65 96.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.994 0.426 . . . . 0.0 111.221 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 34.8 Cg_endo -71.3 121.32 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.566 2.177 . . . . 0.0 111.875 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.1 -49.9 11.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.832 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -155.4 149.91 26.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.911 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -136.86 120.66 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 128' ' ' LEU . . . -178.54 -141.1 4.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.94 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.21 150.26 20.03 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.475 2.116 . . . . 0.0 112.37 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.529 ' HB3' HE21 ' A' ' 47' ' ' GLN . 0.2 OUTLIER -139.89 125.13 18.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.303 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.8 mt 59.39 -176.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.519 0.676 . . . . 0.0 111.368 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -137.23 52.97 1.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.989 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 m -78.52 -29.91 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.181 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.494 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 59.7 m-85 52.13 27.05 4.26 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 m -82.08 105.74 5.11 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.604 0.24 . . . . 0.0 110.944 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 83.3 Cg_endo -82.36 -2.7 11.22 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.972 2.448 . . . . 0.0 113.207 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -90.4 -25.84 20.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -98.11 -15.76 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.929 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.466 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 16.9 p -106.56 158.33 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.771 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.45 157.16 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.887 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.37 123.75 67.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.879 176.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 94.8 m -96.48 150.59 20.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.469 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -124.02 167.16 14.55 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.08 -134.08 11.58 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.991 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.64 141.4 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 111.31 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.82 112.79 0.76 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.502 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.07 -15.42 23.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.6 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -94.3 22.04 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.593 0.711 . . . . 0.0 109.579 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.622 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 5.0 m -90.74 15.85 10.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.37 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -160.76 81.18 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.414 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 19.0 m -134.17 148.28 50.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.5 m -137.14 162.48 33.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -68.25 129.77 40.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -61.9 120.98 11.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.441 0.463 . . . . 0.0 111.721 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -84.54 -2.67 57.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.623 0.725 . . . . 0.0 109.398 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -97.67 113.19 24.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.03 31.26 0.55 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.369 0.604 . . . . 0.0 111.946 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.1 ptp -152.07 46.9 0.77 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.9 t -69.82 129.88 40.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.881 -173.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -78.47 118.67 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.684 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 p -68.75 134.83 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.8 tt -98.51 146.49 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.439 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -147.32 168.1 28.43 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.375 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 ' HG ' ' A' ' 92' ' ' LEU . 59.6 tp -132.95 134.93 45.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.4 m -112.41 112.52 24.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.055 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 39.5 m -103.34 152.97 20.94 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.3 101.8 0.19 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.474 178.795 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' A' ' 115' ' ' SER . 89.5 mt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 29' ' ' TYR . 3.7 p -115.81 153.74 30.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 33.72 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 27' ' ' SER . 72.2 m-85 -124.33 -14.98 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 36.9 m-20 -82.6 141.81 45.39 Favored Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 12.1 Cg_exo -71.48 -2.68 11.67 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.137 2.558 . . . . 0.0 112.112 176.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.28 -10.64 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.82 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -83.11 106.39 14.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.125 0.488 . . . . 0.0 110.563 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.8 mt-30 -98.41 130.5 45.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.972 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.32 155.46 42.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.962 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.481 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.1 ptp180 -146.8 161.19 41.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.025 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' CYS . 84.3 mt -107.86 132.64 53.23 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 p -65.23 158.71 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.729 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.15 -70.69 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.28 0.362 . . . . 0.0 110.037 -175.377 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 t 58.66 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.747 0.655 . . . . 0.0 111.49 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.83 -39.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 23.3 t -160.07 165.21 32.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.335 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.654 0.264 . . . . 0.0 111.436 -176.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 98.7 m -110.9 33.37 4.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.132 0.491 . . . . 0.0 110.148 177.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 59.8 tt0 -156.4 80.74 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.693 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.51 -161.07 16.1 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.47 140.11 32.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -82.07 113.1 19.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.281 0.562 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -116.21 127.25 54.61 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.66 149.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 111.968 -171.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.513 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 51.9 t80 -93.7 100.24 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.845 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.07 -163.84 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.646 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -55.17 -41.05 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.463 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -82.63 -26.04 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.766 0.317 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.07 -151.24 20.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.779 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -71.28 118.55 14.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 111.287 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -137.53 150.5 47.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.435 176.756 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -89.81 151.67 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.2 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.42 134.36 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 t -92.65 143.43 26.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.764 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.2 m -73.37 62.05 0.69 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.99 0.424 . . . . 0.0 111.594 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.52 51.85 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -119.69 154.13 34.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.109 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 60.84 -89.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.171 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.41 27.42 1.22 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -121.2 128.85 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -85.41 -169.73 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.462 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -78.65 51.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 0.0 110.87 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.667 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -123.36 165.31 17.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.105 179.027 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -94.0 89.93 6.25 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HH2' HD11 ' A' ' 128' ' ' LEU . 49.3 p90 -72.26 170.27 14.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -171.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -93.07 33.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.664 -170.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -149.2 61.39 5.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.106 0.479 . . . . 0.0 110.187 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -87.22 -16.21 3.36 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.538 2.158 . . . . 0.0 112.187 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.492 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 13.6 m -62.43 -17.14 58.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.689 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -58.87 -31.09 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.822 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.28 11.34 28.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.804 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 p -60.75 -29.92 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -70.37 -26.11 63.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.78 -46.81 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.03 -39.88 79.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.76 -43.69 94.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -66.74 -21.63 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.598 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.72 5.74 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 59.29 49.38 9.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.731 0.777 . . . . 0.0 111.236 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.1 m -127.95 168.05 15.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.303 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.27 -160.95 12.88 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.212 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.46 153.12 62.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.385 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 21.0 Cg_exo -64.72 116.14 3.63 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.933 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 tt -75.07 -48.28 24.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -148.16 148.29 30.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.565 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -142.56 115.06 8.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.18 -132.0 2.23 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.124 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -88.66 111.11 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.66 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.632 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 27.2 t80 -119.51 104.54 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.1 tp 69.27 166.48 0.27 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.83 0.706 . . . . 0.0 110.212 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -122.85 97.54 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.972 -0.455 . . . . 0.0 110.943 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 m -79.27 -33.32 43.56 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 48.14 52.35 13.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.739 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -111.25 97.29 34.8 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.2 54.55 2.77 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.456 2.771 . . . . 0.0 112.763 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -157.98 -59.83 0.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.594 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.441 ' O ' ' HD2' ' A' ' 57' ' ' HIS . 5.2 p -84.08 -22.93 31.0 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.332 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -87.87 95.61 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.8 pt -98.85 167.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 0.0 111.855 -170.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -112.73 124.63 69.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.578 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 76.3 m -94.65 151.06 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -124.4 160.78 27.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.25 -156.27 15.67 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.47 145.08 41.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.48 109.35 0.48 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.939 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.62 -10.59 16.28 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.414 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -97.75 112.02 24.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.119 0.485 . . . . 0.0 110.129 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -102.33 20.5 16.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.976 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 25.3 m -76.92 1.77 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.674 -175.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -156.66 93.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 34.4 m -122.31 133.25 54.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.953 0.406 . . . . 0.0 109.979 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -119.16 168.06 11.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.084 0.469 . . . . 0.0 111.22 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -62.6 125.33 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.362 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.3 t -65.38 121.57 15.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.403 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 11.7 tpt180 -118.68 31.12 6.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.365 0.602 . . . . 0.0 109.83 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -103.72 140.24 37.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.246 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.24 -33.51 67.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.199 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.1 ptp -107.57 136.86 46.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.1 t -146.21 112.38 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -107.2 147.21 30.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.718 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -72.09 119.85 16.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.423 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.425 HD11 ' HH2' ' A' ' 71' ' ' TRP . 26.8 tp -68.1 116.31 8.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.632 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -115.81 150.34 18.66 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.759 -175.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.672 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.7 tp -132.27 123.06 26.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 90.7 m -109.54 112.3 24.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 60.0 m -96.18 146.11 24.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.2 116.44 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 111.311 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.993 175.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.848 0.356 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 29' ' ' TYR . 81.2 p -117.82 157.32 26.82 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.52 24.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 111.963 -177.444 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' SER . 58.7 m-85 -119.78 -2.69 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.047 172.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 58.6 m-20 -89.94 141.53 28.18 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.161 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 13.6 Cg_exo -69.59 -17.84 38.13 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.826 2.35 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.04 -7.69 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.12 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 80.4 t80 -80.76 118.95 22.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.0 0.428 . . . . 0.0 110.846 -176.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -114.08 133.55 55.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.108 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 163.31 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.906 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.5 ptp180 -142.23 149.2 39.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.007 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 130' ' ' LEU . 95.0 mt -98.89 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 168.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 26.1 p -55.28 138.36 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -74.32 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.639 0.733 . . . . 0.0 111.638 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 m -75.02 -52.52 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.088 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.33 -43.13 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.768 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -155.66 176.97 11.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.062 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -74.06 -19.12 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.85 0.357 . . . . 0.0 110.418 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.0 t -117.06 25.93 10.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 109.722 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -158.79 102.03 1.66 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.062 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.91 -158.83 29.85 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.535 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 33.4 mt-30 -79.28 132.33 36.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -76.37 124.77 28.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.143 0.496 . . . . 0.0 111.272 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -122.59 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.72 153.21 22.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.712 0.291 . . . . 0.0 111.347 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -94.64 98.86 11.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.736 HD11 HD13 ' A' ' 105' ' ' ILE . 81.1 mt -90.26 -172.81 3.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.954 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.65 -40.96 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 111.145 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.5 -10.5 58.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.417 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.27 -153.24 17.99 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.875 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -72.73 133.37 44.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 137.96 27.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.748 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.8 mtp -82.44 159.05 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.334 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG21 ' HE2' ' A' ' 114' ' ' PHE . 37.4 t -110.85 136.34 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.728 0.299 . . . . 0.0 110.407 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.2 t -95.94 141.64 29.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -76.94 45.15 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.855 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -136.91 33.73 2.64 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -105.22 159.48 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.564 -174.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 58.4 28.3 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.645 174.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.34 18.4 71.41 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.955 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -97.89 134.77 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -74.36 161.92 29.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.693 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.0 m -74.48 58.17 0.75 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.337 0.589 . . . . 0.0 111.752 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -137.39 151.26 48.36 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.15 98.55 0.14 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.144 0.277 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -66.21 132.21 47.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 23.0 mt-10 -89.97 52.43 2.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.491 0.663 . . . . 0.0 110.755 -168.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 13.0 m-20 -135.49 53.71 9.14 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.87 175.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 6.1 Cg_exo -74.91 -23.53 13.91 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.788 2.325 . . . . 0.0 112.537 -171.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.671 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 8.2 m -61.9 -17.34 56.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.061 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.56 -19.13 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.69 0.281 . . . . 0.0 111.264 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.47 17.68 21.0 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.283 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 p -55.96 -37.28 68.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.055 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -59.3 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.388 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.12 -52.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 31.3 m -57.34 -41.37 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.442 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.63 -40.82 96.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.478 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.756 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.5 mmp_? -81.74 -4.83 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.656 -0.418 . . . . 0.0 112.08 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.63 11.17 37.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.534 168.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.7 t30 63.27 33.93 13.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.452 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.58 168.06 9.75 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.751 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.89 -134.06 3.39 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.68 153.07 83.33 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.69 0.281 . . . . 0.0 110.871 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.671 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 6.2 Cg_exo -75.51 132.41 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.96 2.44 . . . . 0.0 111.672 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.13 -52.49 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.132 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -142.29 147.43 36.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.3 tt -144.63 119.76 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 171.57 -137.38 4.31 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.078 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.07 121.12 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.702 2.268 . . . . 0.0 111.787 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 32.9 t80 -138.03 117.31 12.72 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.561 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 97' ' ' LYS . 6.0 tt 70.61 141.41 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.9 0.75 . . . . 0.0 110.275 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' N ' HD23 ' A' ' 96' ' ' LEU . 49.9 mtmt -117.55 87.1 2.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.953 -0.467 . . . . 0.0 111.496 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.7 t80 50.55 62.73 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.219 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -125.03 85.0 58.44 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.866 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.72 53.26 2.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.497 2.798 . . . . 0.0 112.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -143.73 -51.18 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.538 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.1 m -79.66 -7.07 58.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.2 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 p -106.99 143.0 35.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.736 HD13 HD11 ' A' ' 52' ' ' LEU . 30.8 pt -113.15 157.99 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.463 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -118.3 119.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -95.78 147.98 23.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -126.36 143.7 51.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 114.72 -143.09 17.95 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.24 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -70.82 128.86 37.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 111.606 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.95 111.9 0.84 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.862 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.64 21.44 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.614 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.3 t -92.35 122.52 34.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.039 0.447 . . . . 0.0 110.463 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.9 m-85 -106.53 22.71 15.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.393 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m -94.36 2.87 55.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.694 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -146.52 77.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.5 m -130.61 143.26 50.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.335 -177.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -119.88 160.56 22.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.152 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.55 136.31 55.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 t -57.48 97.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.534 0.521 . . . . 0.0 111.438 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 6.1 tpt180 -111.15 21.71 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 109.401 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -94.71 172.76 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.343 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.19 -59.84 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.339 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.9 ptp -118.12 160.14 22.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.5 t -146.47 149.3 33.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.149 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -132.01 140.44 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.402 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 13.4 m -71.59 125.45 27.12 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 123.225 0.328 . . . . 0.0 110.636 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.0 tp -73.14 119.08 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.248 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -110.9 138.17 14.78 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.761 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.723 HD13 ' HG ' ' A' ' 92' ' ' LEU . 64.1 tp -132.57 128.02 36.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.1 m -116.57 120.13 37.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.0 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -116.36 154.2 30.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.02 89.96 0.31 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.806 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.251 1.147 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 172.061 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 121.126 0.489 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 3.5 m -89.79 154.8 19.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.24 16.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.681 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.5 m-85 -107.0 -3.31 20.23 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.389 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -95.69 139.36 21.86 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.756 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -8.62 21.14 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.982 2.454 . . . . 0.0 111.868 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.79 -12.32 51.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.88 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.12 127.06 32.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.115 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -118.97 128.38 54.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.813 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.34 164.21 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.662 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -145.67 143.72 29.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.295 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.525 ' H ' HD21 ' A' ' 84' ' ' LEU . 91.0 mt -98.06 127.29 43.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.627 ' HB ' ' NH1' ' A' ' 39' ' ' ARG . 75.8 p -58.88 147.38 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.473 0.483 . . . . 0.0 111.463 -175.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.627 ' NH1' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.16 52.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.456 179.245 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -70.3 -70.09 0.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.218 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -119.72 -38.86 2.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.996 0.427 . . . . 0.0 111.055 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 45.7 t -136.89 156.54 48.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.239 -177.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -60.44 -21.91 62.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.116 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 92.9 m -131.6 40.69 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 110.177 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.92 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 44.0 tt0 -152.85 100.74 2.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.536 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.98 -158.87 24.16 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.216 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.78 142.9 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 tp -88.68 108.65 19.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.826 0.346 . . . . 0.0 110.971 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 51.6 mt-10 -103.0 128.84 49.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.19 148.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.837 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -93.8 105.46 17.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.969 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.97 -158.75 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.286 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.0 -38.26 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.63 4.65 53.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 111.408 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.43 -147.53 18.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.118 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -80.98 130.9 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.818 0.342 . . . . 0.0 110.605 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.66 144.19 32.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.424 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.0 mtp -79.95 147.26 31.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.393 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.17 133.53 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.4 t -92.21 134.08 35.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -59.27 -21.7 60.03 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.269 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -87.82 68.69 9.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.496 0.665 . . . . 0.0 109.839 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.0 m -127.32 158.87 36.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.08 18.65 9.21 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.541 0.526 . . . . 0.0 112.301 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.71 96.54 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.435 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -108.78 150.19 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.995 0.397 . . . . 0.0 110.322 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -55.92 132.11 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 t -77.55 51.78 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.245 -172.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 mtpp -124.56 -92.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.647 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 54.0 mt-30 -154.3 121.38 5.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -76.86 128.66 34.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.78 46.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.806 0.812 . . . . 0.0 110.699 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -148.06 64.15 7.98 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.528 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.99 -9.86 8.46 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.965 2.443 . . . . 0.0 113.784 -168.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.5 m -72.12 -6.39 42.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.13 -175.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.72 -23.26 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.035 0.445 . . . . 0.0 110.449 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.57 25.64 3.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 p -57.94 -43.78 86.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.888 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.681 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 29.4 mtpp -67.83 -17.02 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.74 -53.46 20.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.4 m -62.49 -38.25 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 79' ' ' LYS . 33.6 tt0 -57.78 -45.55 85.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.693 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.688 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.525 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.99 8.68 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.593 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.8 t30 63.65 49.26 3.06 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.045 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m -132.69 173.7 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.472 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.58 -167.82 29.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.74 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.2 155.57 90.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 111.681 -174.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 17.7 Cg_exo -65.32 121.6 9.08 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.257 2.638 . . . . 0.0 112.715 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.37 -51.27 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 p -145.37 149.08 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.709 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 130' ' ' LEU . 67.8 tp -141.95 135.79 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.647 ' HA3' ' HG2' ' A' ' 70' ' ' GLN . . . 167.05 -139.36 5.69 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.954 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 61.3 Cg_endo -93.9 126.57 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.96 2.44 . . . . 0.0 112.546 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 57.6 t80 -139.76 116.15 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.9 tp 57.97 85.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.853 0.721 . . . . 0.0 111.234 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 97' ' ' LYS . 48.9 mtmt -65.11 96.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 -28.13 68.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.43 71.03 0.55 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.363 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m -149.45 99.66 3.38 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.588 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.43 -19.39 64.14 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.211 2.607 . . . . 0.0 113.078 -174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 28.6 tt0 -84.33 -36.43 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.908 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.1 m -83.94 -17.09 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.066 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 p -111.8 150.35 30.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.903 0.383 . . . . 0.0 110.686 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 58' ' ' MET . 25.3 pt -123.06 157.34 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.16 127.09 73.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.452 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -101.1 145.87 28.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.967 0.413 . . . . 0.0 111.522 -176.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -126.04 149.52 48.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.648 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.04 -143.97 16.5 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.23 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -77.13 136.96 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.896 0.379 . . . . 0.0 110.782 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -55.51 112.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.269 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.39 -5.3 38.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.592 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.1 t -101.49 118.41 36.9 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.483 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -98.41 32.18 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.557 0.694 . . . . 0.0 109.505 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.9 m -78.89 -18.95 53.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.076 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -144.63 88.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.314 0.578 . . . . 0.0 110.278 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.2 m -124.33 154.98 39.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.028 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 m -136.68 175.41 9.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.608 0.242 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.457 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 56.3 t-80 -58.07 139.15 55.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -68.74 95.78 0.69 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.409 0.623 . . . . 0.0 110.032 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -94.05 16.01 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.659 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 42.0 t-20 -116.13 128.59 55.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.96 -15.79 56.55 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.659 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.4 ptp -93.16 35.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.751 0.786 . . . . 0.0 109.964 177.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.46 152.18 43.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.08 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -134.94 135.21 41.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.99 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -68.86 122.74 19.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 93' ' ' GLY . 34.6 tp -72.02 125.05 26.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.079 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.519 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -119.24 138.37 13.39 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.865 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 92' ' ' LEU . 61.8 tp -125.58 129.39 49.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.8 m -110.34 106.94 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.046 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.5 m -93.16 148.89 21.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.96 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.98 101.11 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 110.285 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.225 177.034 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 120.69 0.281 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 7.9 m -95.43 153.75 17.54 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 12.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -102.52 -12.59 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.087 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -78.7 148.03 72.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.226 0.536 . . . . 0.0 111.273 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.505 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 58.7 Cg_endo -71.62 -9.07 24.42 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.521 2.814 . . . . 0.0 112.823 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.74 6.6 39.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -80.15 135.71 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.027 0.441 . . . . 0.0 111.1 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -134.47 131.7 38.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.114 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.5 160.28 39.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -142.7 166.51 24.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.591 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 90.2 mt -112.91 140.55 47.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.8 p -67.96 168.55 11.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.414 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.759 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -84.62 53.15 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.938 -172.008 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -74.1 -71.08 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.759 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -111.19 -54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 109.741 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 t -150.67 -170.84 3.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.006 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -76.78 -25.84 53.83 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.313 -175.248 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.3 m -101.22 18.09 20.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.96 108.25 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.966 0.412 . . . . 0.0 111.342 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.81 -162.85 35.24 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.776 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 2.2 mp0 -76.69 145.53 38.68 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.88 115.93 23.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -111.61 123.72 50.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.508 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.56 153.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.222 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -93.3 112.5 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.375 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD11 HD13 ' A' ' 105' ' ' ILE . 80.7 mt -111.63 -170.42 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.2 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -51.34 -47.46 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -84.75 1.66 45.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.89 -143.79 17.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.578 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -78.86 134.71 36.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.966 0.412 . . . . 0.0 111.178 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.38 135.37 23.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.778 176.786 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 105' ' ' ILE . 61.5 mtp -74.77 150.32 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.518 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.33 134.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.836 0.35 . . . . 0.0 110.501 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.8 t -92.79 147.09 23.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.272 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 94' ' ' PRO . 16.4 m -81.29 32.75 0.34 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 7.4 tp60 -131.53 31.27 4.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.734 0.778 . . . . 0.0 108.964 174.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -101.05 155.06 18.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.793 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 59.05 27.44 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.766 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 19.02 76.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.886 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -101.03 146.35 27.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.005 0.431 . . . . 0.0 110.432 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.6 p -110.35 -165.87 1.04 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 t -74.55 70.96 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.175 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.83 149.56 51.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.224 -179.097 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.54 85.25 2.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -65.92 163.55 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -86.05 49.95 1.88 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.845 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -161.18 80.08 2.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.234 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.84 -16.37 18.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 111.268 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 3.7 p -69.42 -3.35 14.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.104 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -54.46 -31.26 55.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.598 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.27 29.7 7.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.774 0.321 . . . . 0.0 111.635 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -58.19 -37.57 75.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.283 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.749 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 10.8 mmpt? -69.87 -30.0 67.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.306 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.05 -45.47 90.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -37.99 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.273 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.05 -40.11 95.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.505 ' NH2' ' HA ' ' A' ' 31' ' ' PRO . 40.6 mmt180 -63.54 -31.85 73.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.3 mt -92.84 -0.63 57.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.109 0.48 . . . . 0.0 110.958 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 57.91 44.99 19.0 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.417 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.59 -175.66 2.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.776 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.55 -166.94 39.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.551 ' OD1' ' HD2' ' A' ' 89' ' ' PRO . 34.7 t70 -66.23 143.24 98.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 122.642 0.377 . . . . 0.0 110.723 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.551 ' HD2' ' OD1' ' A' ' 88' ' ' ASP . 31.9 Cg_endo -67.93 116.56 4.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.766 2.31 . . . . 0.0 112.282 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 133' ' ' LEU . 3.7 tt -79.02 -50.19 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.925 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 p -144.09 143.05 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.087 -174.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 93' ' ' GLY . 6.0 tt -137.79 128.95 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.419 ' N ' HD23 ' A' ' 92' ' ' LEU . . . 157.91 -162.52 32.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.014 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 61' ' ' SER . 21.6 Cg_exo -65.23 97.12 0.29 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.619 2.212 . . . . 0.0 110.839 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -91.47 -29.12 17.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.246 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 tp -146.61 157.17 43.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -128.26 74.89 1.58 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -8.06 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.585 0.707 . . . . 0.0 111.554 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.523 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 20.7 t80 55.35 45.21 25.95 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.483 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.3 m -114.03 87.3 12.68 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.725 0.297 . . . . 0.0 111.214 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 2.0 Cg_endo -82.18 50.44 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.171 2.581 . . . . 0.0 111.492 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -128.73 -58.6 1.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.051 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m -87.24 12.77 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 p -112.4 148.72 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.506 . . . . 0.0 111.464 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 52' ' ' LEU . 31.7 pt -121.04 154.05 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.1 131.36 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.5 t -118.97 156.31 29.81 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.101 -173.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -129.07 160.51 32.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.779 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.0 -156.39 15.61 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.622 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -68.41 136.92 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.227 0.211 . . . . 0.0 110.463 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.73 114.27 1.99 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.039 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.64 -8.51 32.23 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.633 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 5.9 t -102.69 115.37 30.46 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.977 0.418 . . . . 0.0 110.502 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -93.47 41.69 1.09 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.625 0.726 . . . . 0.0 109.439 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -81.7 -43.61 18.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.515 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -119.26 75.49 1.05 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.209 0.528 . . . . 0.0 110.157 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.7 m -108.64 158.81 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.061 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.6 m -147.53 168.2 22.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.447 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -62.38 132.31 52.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.0 t -74.08 100.82 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.216 0.531 . . . . 0.0 110.911 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -103.97 45.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.92 0.867 . . . . 0.0 108.886 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -116.9 125.28 51.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.024 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.19 -27.86 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.895 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.0 ptp -99.43 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 110.249 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.88 105.5 9.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.765 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -94.82 139.26 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -75.91 122.08 23.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.75 137.33 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.87 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -137.52 162.58 25.46 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.721 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.3 tp -131.72 139.69 49.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.6 m -119.93 104.8 10.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.638 0.256 . . . . 0.0 110.695 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.8 m -94.63 137.01 34.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.428 ' CD2' HD12 ' A' ' 90' ' ' LEU . 89.0 mt -60.8 121.03 11.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.047 173.115 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.43 HD12 HD22 ' A' ' 52' ' ' LEU . 61.7 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -101.54 146.54 27.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -68.48 1.24 3.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.932 -178.516 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.63 -5.49 24.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.832 0.349 . . . . 0.0 110.127 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -71.03 142.52 87.71 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.04 -18.87 57.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -124.3 33.27 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.555 0.693 . . . . 0.0 110.573 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 86.0 t80 -76.68 125.89 30.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -109.95 121.04 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.028 0.442 . . . . 0.0 111.259 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.74 163.11 38.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.398 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 170.89 21.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.379 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 44' ' ' CYS . 49.1 mt -117.33 142.41 47.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.959 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 p -63.81 167.43 6.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.669 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -76.26 53.09 0.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.968 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 m -81.78 -24.15 36.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -170.15 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -145.83 170.66 16.1 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.592 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -76.19 -3.08 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -171.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.632 ' HA ' HD12 ' A' ' 37' ' ' LEU . 89.7 m -118.23 24.24 11.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 111.632 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 18.9 pt20 -161.05 120.6 2.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.301 0.572 . . . . 0.0 110.497 172.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.65 -151.61 23.25 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.024 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.01 134.97 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 37' ' ' LEU . 51.5 tp -80.88 118.87 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.109 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -112.38 134.1 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.595 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.47 148.12 19.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -97.87 101.36 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.136 0.493 . . . . 0.0 110.828 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 26' ' ' LEU . 53.4 mt -99.18 -177.24 3.55 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.44 -27.26 68.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.228 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -79.34 -4.48 51.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.713 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.5 -167.45 12.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.886 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -76.2 120.3 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -136.03 140.7 44.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.109 0.48 . . . . 0.0 111.483 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtp -72.88 145.4 46.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.211 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.19 129.37 43.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 120.758 0.313 . . . . 0.0 110.185 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' HB3' HG12 ' A' ' 106' ' ' ILE . 9.8 t -87.54 141.29 28.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -62.11 -15.14 43.31 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -91.84 31.5 1.22 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -88.98 155.0 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.852 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 55.53 22.78 5.4 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.416 0.687 . . . . 0.0 112.037 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.61 32.4 78.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.482 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.539 ' HD2' HD13 ' A' ' 111' ' ' LEU . 3.1 mmp_? -78.54 162.46 26.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -79.24 131.69 36.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.887 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.1 t -77.63 71.63 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.299 0.571 . . . . 0.0 110.253 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -154.04 174.48 14.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.64 112.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -73.05 136.79 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.145 0.498 . . . . 0.0 110.443 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -73.62 -25.54 60.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.572 -170.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 78.99 70.93 Favored Pre-proline 0 N--CA 1.464 0.252 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.25 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 15.6 Cg_exo -70.92 -13.58 31.84 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 111.668 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.544 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.4 m -61.0 -27.89 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.791 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -66.22 -8.85 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.761 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.78 16.54 26.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.02 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 13.0 p -57.16 -33.39 67.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.905 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -52.68 -36.41 57.08 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.45 -48.53 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 m -63.15 -36.01 82.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 78' ' ' SER . 48.8 mt-30 -64.19 -43.4 95.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.953 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -67.73 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -90.79 2.62 55.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.73 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 59.54 42.49 17.43 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.829 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 92.4 m -126.01 171.31 10.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -75.66 -171.34 30.37 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.491 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.1 155.33 16.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.59 0.756 . . . . 0.0 111.969 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.1 Cg_endo -81.99 120.6 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.182 2.588 . . . . 0.0 112.257 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.477 HD11 HD23 ' A' ' 133' ' ' LEU . 79.5 mt -88.0 -44.94 10.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 -177.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -134.39 149.5 50.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.1 tt -156.77 123.47 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.6 -162.4 28.48 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.611 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -64.8 87.16 0.17 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.712 2.274 . . . . 0.0 111.532 176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 96' ' ' LEU . 11.7 t80 -96.73 -26.51 15.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 -176.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 95' ' ' PHE . 5.8 mp -135.13 169.66 17.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.719 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -132.82 77.99 1.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -71.38 -36.45 71.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.466 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 56.36 69.78 0.71 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.365 0.602 . . . . 0.0 110.641 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.6 m -145.23 85.33 8.12 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.79 44.99 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.214 2.609 . . . . 0.0 113.281 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -131.47 -52.74 1.01 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.7 m -76.26 -29.04 57.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.602 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 130.39 35.11 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.801 0.334 . . . . 0.0 110.994 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.54 150.22 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.705 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 60' ' ' CYS . 44.7 mt -111.13 115.06 48.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.2 t -100.52 154.2 18.74 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.841 -174.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -123.42 156.27 35.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.43 -148.98 16.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.872 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.96 146.91 24.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 66' ' ' ARG . 55.3 tp -52.97 112.43 0.85 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.791 0.436 . . . . 0.0 111.626 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.21 -8.3 52.92 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.62 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 t -104.78 106.88 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.971 0.415 . . . . 0.0 110.293 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.29 60.96 6.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.667 0.746 . . . . 0.0 109.301 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.1 m -71.44 -55.12 8.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.877 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -136.42 104.4 5.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.807 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.4 m -106.71 144.48 33.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.187 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 m -117.39 139.74 50.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -67.41 122.79 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -50.15 113.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.722 0.639 . . . . 0.0 112.367 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -87.47 28.75 0.94 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.547 0.689 . . . . 0.0 109.466 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -132.04 136.57 47.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.502 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.19 -27.24 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.832 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.02 150.62 24.09 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.552 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.6 t -162.83 148.66 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.119 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -108.92 131.57 54.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.776 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -75.96 121.05 22.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.02 106.47 4.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.955 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -96.86 125.29 8.42 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.781 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 59.4 tp -113.48 130.03 56.42 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.4 m -120.69 106.8 12.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.745 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.4 m -95.53 159.01 15.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 90' ' ' LEU . 21.9 mt -63.85 89.39 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.124 0.488 . . . . 0.0 110.663 175.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.925 178.932 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 114' ' ' PHE . 93.6 mt . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.744 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.3 m -84.48 146.64 27.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.607 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -76.83 15.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.663 0.745 . . . . 0.0 110.404 176.552 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 88.5 t80 -106.54 -9.06 16.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.094 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.49 139.48 86.67 Favored Pre-proline 0 CA--C 1.518 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.449 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.65 -56.84 2.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.235 2.623 . . . . 0.0 113.187 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 36.36 2.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.917 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.8 t80 -74.77 115.56 14.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -100.31 132.91 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -148.76 154.5 39.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.654 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -130.7 153.82 48.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 0.0 110.12 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 130' ' ' LEU . 79.0 mt -111.12 126.03 54.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 68.4 p -72.51 170.59 14.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.275 -166.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -75.55 23.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.363 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' THR . 31.2 m -73.63 -28.61 61.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.862 0.363 . . . . 0.0 111.008 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 2.1 t-20 -144.79 -58.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.52 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 8.3 t -160.97 163.2 31.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -64.15 -11.26 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 23.0 t -117.66 15.49 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.407 . . . . 0.0 110.869 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 14.3 pt20 -167.6 112.91 0.71 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.311 0.577 . . . . 0.0 110.927 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.4 -152.19 11.76 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG2' HD13 ' A' ' 96' ' ' LEU . 37.4 mt-30 -71.6 133.56 45.82 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -86.05 109.64 18.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.941 0.4 . . . . 0.0 110.749 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -113.05 121.49 44.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 175.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.54 153.9 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.121 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -87.87 115.7 25.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.247 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD11 HD13 ' A' ' 105' ' ' ILE . 89.1 mt -112.39 -173.21 2.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.601 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -50.43 -50.17 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.267 0.354 . . . . 0.0 111.676 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.801 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 5.3 m-20 -69.33 -39.67 78.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 0.0 110.801 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.4 -150.37 22.46 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.591 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 91.0 m95 -71.94 135.53 46.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.12 0.486 . . . . 0.0 111.312 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.801 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 69.9 m80 -138.94 141.21 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.364 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.536 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 67.3 mtp -80.34 137.2 36.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.194 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.83 125.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.458 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.88 135.78 33.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.6 m -61.95 -21.57 64.91 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -172.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.59 32.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.7 0.286 . . . . 0.0 111.644 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 m -92.89 154.44 18.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.64 0.257 . . . . 0.0 111.049 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 57.43 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.42 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.54 39.16 0.7 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.481 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HD3' HD11 ' A' ' 111' ' ' LEU . 10.2 mmm180 -97.55 129.04 44.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.215 -177.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.683 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 7.0 m -79.07 162.77 25.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.812 176.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.3 63.1 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 109.667 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 64.5 pttt -156.27 170.98 21.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.041 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.6 HE22 ' HA ' ' A' ' 91' ' ' SER . 5.2 tp60 -69.31 110.12 4.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -72.78 143.06 48.07 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.09 -2.8 11.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.81 98.27 4.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 0.0 111.097 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -94.15 0.63 3.05 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.158 2.572 . . . . 0.0 112.092 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.2 m -63.43 -19.8 65.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.196 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -55.16 -30.73 60.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.725 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.05 22.17 3.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.495 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 20.9 t -54.26 -49.7 68.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.61 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmmm -63.23 -26.29 68.72 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.48 -52.08 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -57.0 -41.97 79.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.676 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 78' ' ' SER . 84.1 mt-30 -67.59 -39.67 84.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -66.62 -23.79 66.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 111.072 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.57 7.94 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 61.06 41.25 14.09 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.442 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.6 m -112.87 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.403 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.46 -140.07 3.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.374 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.19 159.71 64.46 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.543 0.211 . . . . 0.0 110.494 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.8 Cg_exo -73.71 134.43 20.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.996 2.464 . . . . 0.0 112.341 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.72 -54.67 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.6 ' HA ' HE22 ' A' ' 70' ' ' GLN . 15.7 p -138.19 148.34 44.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.798 0.333 . . . . 0.0 110.824 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 130' ' ' LEU . 44.1 tp -148.61 86.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.45 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.54 -163.15 18.32 Favored Glycine 0 C--O 1.225 -0.406 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 92.49 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.318 2.012 . . . . 0.0 112.261 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.573 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.3 t80 -87.34 -25.63 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.2 mp -128.42 138.98 52.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.724 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -90.89 24.21 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.859 0.837 . . . . 0.0 109.512 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -79.3 134.82 36.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' HE2' ' HA ' ' A' ' 124' ' ' MET . 19.5 m-85 -107.84 121.12 44.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.611 178.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 m -132.33 83.69 54.22 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.6 65.52 5.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.183 2.589 . . . . 0.0 112.443 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -165.04 -64.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.452 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 p -87.05 -22.07 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.462 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 20.1 m -77.6 124.23 27.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 110.274 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 42.8 pt -113.66 162.94 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.082 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.8 tt -128.5 130.92 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 174.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.75 155.75 34.6 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.23 -172.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -134.93 161.62 34.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.935 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.53 -125.84 4.52 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -98.77 135.41 40.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.495 HD11 ' HD3' ' A' ' 66' ' ' ARG . 56.7 tp -59.56 103.27 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 110.743 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 125.58 -14.99 7.18 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.176 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 21.1 t -115.91 123.08 47.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.049 0.452 . . . . 0.0 111.126 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 91.3 m-85 -82.3 63.23 6.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -60.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.701 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -138.65 102.62 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.0 150.84 33.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.433 -173.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -137.69 177.03 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -85.31 136.76 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.5 t -59.58 103.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 121' ' ' ARG . 47.3 mtm180 -93.44 35.42 1.1 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.368 0.604 . . . . 0.0 110.111 174.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -115.24 165.46 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.3 -44.22 63.05 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.501 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 99' ' ' TYR . 25.4 ptt? -93.77 156.48 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.502 -174.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 51.6 t -177.34 130.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -120.22 136.37 54.67 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.453 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 49.5 m -66.3 118.86 10.57 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.842 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.5 tt -76.07 130.93 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.765 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -116.54 130.85 9.2 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.735 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 92' ' ' LEU . 53.6 tp -107.61 122.23 46.26 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.9 m -110.86 108.84 18.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.818 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.723 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.7 m -98.43 157.32 16.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.01 93.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.102 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 41.9 tt0 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.254 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -120.3 156.23 31.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.599 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CD1' ' HD1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -73.68 12.44 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.645 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.436 ' HD1' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-85 -110.11 -0.85 17.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.001 0.429 . . . . 0.0 110.181 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.9 125.69 54.28 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.791 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.16 -12.59 33.28 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.018 2.478 . . . . 0.0 111.987 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.97 -7.96 56.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -87.73 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.368 . . . . 0.0 110.586 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -120.15 143.87 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.29 170.62 21.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.386 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -147.29 172.33 14.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 44' ' ' CYS . 96.5 mt -115.55 132.79 56.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -58.28 149.92 23.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.583 -175.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -73.73 60.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.784 0.802 . . . . 0.0 111.058 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -87.23 -54.89 4.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.89 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.43 -49.6 2.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -159.97 -179.16 7.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -66.86 -30.41 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 111.598 -175.513 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 97.0 m -115.54 31.18 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.022 0.439 . . . . 0.0 111.096 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -157.22 100.74 1.86 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 0.0 110.217 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.72 -145.58 6.86 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.581 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.19 139.36 39.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.36 117.12 11.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 111.554 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -120.96 121.43 38.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -108.76 152.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -171.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -97.88 95.37 7.47 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.745 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.03 -170.95 2.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -56.33 -35.96 68.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.208 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.81 -31.29 22.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.546 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.25 -147.29 17.96 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.87 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -84.82 125.39 32.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 0.0 111.467 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -135.75 140.96 44.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 99' ' ' TYR . 78.5 mtp -80.58 141.59 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.31 124.58 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 t -88.17 135.74 33.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -70.58 -8.9 55.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -74.75 -9.81 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.056 0.455 . . . . 0.0 110.756 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -62.43 155.71 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.428 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 61.99 22.63 13.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.999 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.61 42.86 97.15 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.464 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . 22.2 mmt180 -111.54 138.87 47.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 111.249 -177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -83.78 168.06 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 22.9 t -78.67 66.7 4.24 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.486 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -139.56 158.55 43.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.761 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 9.8 tt0 -83.62 140.32 32.27 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 66' ' ' ARG . 15.9 m95 -83.38 153.2 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -173.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.77 -25.48 67.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.756 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -124.83 97.82 37.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.84 -14.25 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.261 1.974 . . . . 0.0 112.186 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -73.52 1.15 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.953 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.08 -22.45 66.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 110.67 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.93 18.43 22.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -57.87 -37.33 73.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -59.35 -37.58 78.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.39 -51.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 60.8 m -61.21 -42.08 97.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.82 -35.93 82.05 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.726 -0.215 . . . . 0.0 110.52 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -66.91 -27.15 67.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.018 0.437 . . . . 0.0 110.062 177.464 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.84 2.91 50.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 68.76 43.75 1.22 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.628 0.727 . . . . 0.0 110.68 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.5 m -133.79 159.24 41.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.783 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.37 -159.49 28.02 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.934 -174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 29.5 t70 -56.03 140.54 69.69 Favored Pre-proline 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 0.0 112.2 -174.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 18.3 Cg_exo -63.83 109.18 1.03 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.386 2.724 . . . . 0.0 112.146 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.23 -32.25 70.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.62 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -148.24 143.31 26.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.245 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 6.0 tt -152.22 117.35 5.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.53 -173.6 37.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.509 -0.853 . . . . 0.0 111.84 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 76.5 Cg_exo -52.64 122.2 10.49 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.945 2.43 . . . . 0.0 112.419 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 89.4 t80 -135.82 99.08 4.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.608 -177.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.8 mt 64.58 -175.95 0.17 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.21 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -131.73 46.59 2.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.396 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -83.7 6.84 19.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.205 0.526 . . . . 0.0 110.162 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 31.1 p90 -53.66 129.16 32.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.306 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 103' ' ' SER . 24.3 m -82.14 111.0 23.89 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.25 -24.07 57.52 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.974 2.45 . . . . 0.0 113.225 -172.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.36 -19.19 28.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.3 . . . . 0.0 111.045 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.434 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 13.0 m -109.75 -6.1 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.671 -173.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 5.4 p -97.52 143.06 28.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.008 0.432 . . . . 0.0 110.804 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 pt -122.58 155.87 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 0.0 111.433 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 121' ' ' ARG . 49.9 mt -116.49 118.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.388 172.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 7.5 t -105.71 157.43 17.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -124.19 155.66 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.974 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.81 -140.52 14.79 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.82 145.74 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.16 108.13 0.34 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.79 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 28' ' ' TRP . . . 103.33 -3.24 47.03 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.925 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.2 t -102.2 113.1 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.958 0.409 . . . . 0.0 110.22 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.7 m-85 -92.68 49.66 1.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.176 0.513 . . . . 0.0 110.143 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -77.01 -30.67 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -148.84 97.21 2.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.888 0.375 . . . . 0.0 110.187 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.2 m -123.23 156.94 34.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -143.58 174.89 10.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -60.08 145.63 45.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -52.64 115.49 1.82 Allowed 'General case' 0 C--O 1.231 0.121 0 O-C-N 123.321 0.388 . . . . 0.0 110.401 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.502 ' H ' HD12 ' A' ' 106' ' ' ILE . 9.3 tpt180 -86.96 -5.58 59.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.249 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.57 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 10.0 t-20 -123.4 151.43 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.52 -51.12 31.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.57 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.3 ptp -78.82 130.83 36.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.283 0.563 . . . . 0.0 110.067 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.1 t -152.64 139.32 18.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.216 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -110.04 124.8 52.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.3 m -63.05 140.61 58.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.57 104.7 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -89.83 136.71 13.66 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.18 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 37' ' ' LEU . 56.5 tp -131.16 121.52 25.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 59.0 m -113.27 100.51 8.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.749 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.5 m -90.04 154.38 19.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 tt -75.16 81.03 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.83 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 10.0 pt-20 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.734 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.6 ' N ' ' HG ' ' A' ' 115' ' ' SER . 95.9 mt . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.3 p -133.33 155.0 50.24 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 24.48 0.11 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 111.958 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.5 m-85 -123.59 8.15 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.632 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -93.41 128.5 42.27 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.5 -13.79 41.61 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.602 2.202 . . . . 0.0 112.696 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.91 3.66 49.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.903 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -75.98 129.37 36.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -112.22 135.97 52.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -154.88 162.53 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.903 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 44' ' ' CYS . 95.4 mt -110.78 146.3 36.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 60.2 p -63.38 158.42 20.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -75.12 55.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.9 m -80.39 -77.04 0.2 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.13 -17.04 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.746 0.308 . . . . 0.0 111.271 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 28.8 t -165.77 158.98 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.73 -16.85 64.34 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.436 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.2 m -118.13 31.93 6.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.419 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 48.0 tt0 -159.58 102.39 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.147 0.499 . . . . 0.0 110.508 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -157.77 30.12 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 85.5 mt-30 -82.78 140.97 32.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 54.1 tp -82.53 119.21 23.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.093 0.473 . . . . 0.0 111.177 -177.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 50.3 mt-10 -115.82 126.84 54.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.375 173.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 ' CZ ' ' A' ' 114' ' ' PHE . 35.4 m -115.85 150.28 17.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -93.19 104.45 16.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' ILE . 79.3 mt -92.84 -177.59 4.57 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -68.4 -17.29 64.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.094 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -15.66 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 111.203 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.02 -157.94 23.09 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -79.46 135.02 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.852 0.358 . . . . 0.0 110.705 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.54 136.58 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.617 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 70.8 mtp -77.04 151.21 35.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.6 132.21 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 0.0 110.365 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.9 135.54 36.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.5 m -62.33 -13.53 29.81 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -80.09 -3.3 48.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.989 0.423 . . . . 0.0 111.068 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -67.5 153.98 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 111.396 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 56.02 27.18 10.92 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.21 175.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.62 42.37 98.8 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.817 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -108.23 145.29 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.256 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 p -83.8 163.05 20.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.816 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -79.01 53.55 1.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.198 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -142.34 156.9 45.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.97 108.21 12.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.61 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 11.6 p90 -69.73 159.14 34.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.07 0.462 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -67.14 -16.03 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -165.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.31 94.02 16.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.203 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.945 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.7 Cg_exo -81.09 -4.94 12.8 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.369 2.713 . . . . 0.0 112.444 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.1 m -55.17 -24.91 29.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -62.29 -16.39 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.13 11.36 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.556 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -57.47 -35.03 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.822 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -68.3 -28.37 67.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.59 -48.37 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 m -58.15 -40.35 81.16 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.43 -48.54 76.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.692 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -75.81 -14.27 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 11.91 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 0.0 110.105 173.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.4 t30 64.98 51.82 1.65 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.679 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.483 ' SG ' ' HE3' ' A' ' 43' ' ' LYS . 95.4 m -143.09 177.94 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.335 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.73 -115.71 4.08 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.161 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.9 m-20 -81.95 152.17 68.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.433 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.2 Cg_endo -88.99 121.5 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.804 3.002 . . . . 0.0 111.942 177.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 133' ' ' LEU . 93.5 mt -78.46 -42.35 30.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.397 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.2 m -148.15 143.55 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.945 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -143.12 124.55 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.71 -128.96 1.85 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.05 139.8 3.78 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.582 2.188 . . . . 0.0 112.46 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.1 t80 -133.66 105.82 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.28 164.18 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.68 0.752 . . . . 0.0 111.412 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -125.11 71.65 1.2 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.244 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -78.5 -22.75 46.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.535 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.515 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 97.7 m-85 57.59 67.31 0.99 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.402 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -118.26 65.61 5.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 8.3 Cg_exo -71.37 -26.64 20.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.989 2.459 . . . . 0.0 112.429 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.83 -14.55 58.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.065 0.46 . . . . 0.0 110.638 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -102.45 -7.88 21.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.133 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.4 p -116.89 168.53 10.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.248 0.547 . . . . 0.0 111.406 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.614 HD13 HD11 ' A' ' 52' ' ' LEU . 24.9 pt -127.77 147.92 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.078 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -105.27 108.52 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.01 155.61 18.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.061 0.457 . . . . 0.0 110.971 -173.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -125.02 -179.55 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.157 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.92 -130.74 10.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.878 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -110.82 148.47 32.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.66 107.82 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.915 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.76 22.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.546 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 t -100.22 114.45 27.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.168 0.509 . . . . 0.0 110.334 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 91.3 m-85 -101.8 42.76 1.11 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.791 0.805 . . . . 0.0 109.0 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 13.3 m -103.92 14.99 29.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 -174.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -170.98 79.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.183 0.516 . . . . 0.0 109.765 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.0 m -122.49 151.87 40.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.422 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 m -115.03 131.56 56.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.913 0.387 . . . . 0.0 111.231 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -71.78 111.78 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 101' ' ' PRO . 32.5 t -68.18 111.15 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.998 -173.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -96.54 15.27 22.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.95 176.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.437 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 7.6 t-20 -100.69 179.11 4.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.258 -173.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -115.66 49.93 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.154 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 24.9 ptt? -164.33 137.36 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.028 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 26.6 t 178.18 143.09 0.1 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.262 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -112.96 123.77 51.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 p -65.36 126.87 29.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.149 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 92' ' ' LEU . 8.9 tt -74.76 131.25 40.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -118.64 147.34 18.5 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.803 -176.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.732 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.4 tp -132.87 135.08 45.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.8 m -124.91 120.09 30.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.095 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.814 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 14.2 m -118.86 146.4 44.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 90' ' ' LEU . 50.3 mt -78.46 147.93 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.127 178.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 134' ' ' GLU . 5.1 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.626 170.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 52' ' ' LEU . 94.6 mt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -120.08 155.01 33.81 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 10.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.75 -6.1 18.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.583 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 12.6 m-20 -78.1 134.64 63.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 19.9 Cg_exo -67.04 -23.16 46.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.081 2.52 . . . . 0.0 112.078 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -101.54 14.96 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.952 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -72.51 108.53 5.63 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 24.2 mt-30 -97.99 117.84 33.23 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.62 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.16 155.54 42.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.838 HH11 HH21 ' A' ' 39' ' ' ARG . 10.4 ptp180 -150.15 152.62 34.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.963 0.411 . . . . 0.0 110.438 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.6 mt -97.26 139.92 32.52 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.2 p -57.83 140.42 51.83 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.342 0.401 . . . . 0.0 110.796 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.838 HH21 HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.64 63.07 4.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.108 -175.399 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.2 t -61.62 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -138.62 -54.61 0.61 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.488 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.4 m -91.82 124.85 36.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.466 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -69.14 -15.19 63.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.904 0.383 . . . . 0.0 111.053 -174.123 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.765 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 0.5 OUTLIER -109.53 28.72 8.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 54.0 tt0 -154.55 97.46 2.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.103 174.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.36 -167.71 34.2 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -73.58 143.62 46.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 tp -89.67 116.04 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.97 0.414 . . . . 0.0 111.396 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.44 127.34 56.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.259 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.24 151.33 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 80.7 t80 -94.67 105.33 17.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.913 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 4.7 mp -93.41 -179.38 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -62.63 -32.47 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.412 0.625 . . . . 0.0 109.637 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.34 -38.61 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.283 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.63 -164.15 29.07 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.292 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.85 128.59 35.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.76 0.28 . . . . 0.0 110.665 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -143.52 152.81 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.486 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 80.2 mtp -87.71 130.87 34.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.668 -176.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.6 t -87.95 129.89 38.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.89 0.376 . . . . 0.0 110.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -98.15 146.2 25.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 p -73.01 -16.01 61.52 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 53.3 tp60 -83.38 53.94 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -118.32 149.88 40.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.535 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 58.69 21.63 9.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.214 0.606 . . . . 0.0 112.358 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.74 71.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.807 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 10.5 mmt180 -78.51 151.06 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.268 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -95.13 161.41 14.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.71 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -75.01 57.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.233 0.54 . . . . 0.0 111.25 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.63 160.61 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 92.78 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.763 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.487 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 31.9 p90 -70.37 155.71 40.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -85.69 36.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.544 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.406 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 18.3 m-20 -136.54 62.41 42.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.735 0.303 . . . . 0.0 110.996 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 1.2 Cg_endo -83.94 -23.44 3.12 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.722 2.281 . . . . 0.0 112.695 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.0 m -59.24 -20.53 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.08 -15.33 62.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.694 0.283 . . . . 0.0 111.321 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.94 12.2 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.353 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -57.39 -31.03 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.901 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 7.5 mmpt? -62.08 -42.66 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.082 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.58 -43.7 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.7 m -59.01 -41.98 89.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.251 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -67.5 -33.96 76.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 45.4 mmt-85 -60.93 -30.64 70.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.133 0.492 . . . . 0.0 110.246 176.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.25 11.8 29.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.254 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 62.49 41.02 10.2 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.3 0.572 . . . . 0.0 111.04 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.7 m -113.95 170.73 8.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.298 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.16 -133.77 5.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.265 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.67 152.27 96.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.398 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 1.5 Cg_endo -80.24 117.79 3.54 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.12 2.546 . . . . 0.0 111.427 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.71 -47.62 16.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.611 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -138.08 143.33 40.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.539 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.45 -132.9 1.94 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.08 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.61 141.03 8.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.361 2.04 . . . . 0.0 112.181 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.073 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 53.5 t80 -120.12 83.92 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt 63.18 -167.78 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.414 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -112.86 115.5 28.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.08 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.2 m -96.94 -45.52 6.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.433 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 55.13 84.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.484 0.49 . . . . 0.0 111.076 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 m -153.06 78.28 5.97 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -74.17 33.41 0.35 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.046 2.497 . . . . 0.0 112.904 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -111.17 -37.35 5.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.161 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 m -117.03 -15.55 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.067 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 14.5 p -73.12 134.39 44.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.35 . . . . 0.0 111.741 -175.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.4 pt -135.31 160.8 40.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.156 0.503 . . . . 0.0 111.103 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.9 mt -125.78 131.47 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.897 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.5 t -108.21 155.24 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.979 -173.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.03 172.5 10.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.689 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.1 -83.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.327 -0.939 . . . . 0.0 113.171 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -154.85 140.41 17.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.589 0.233 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.97 108.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.257 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.5 -9.63 24.1 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.64 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 t -107.71 109.88 21.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.138 0.494 . . . . 0.0 110.39 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -93.15 48.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.2 p -85.53 -31.2 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.672 -176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -144.4 93.77 2.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.115 0.483 . . . . 0.0 110.447 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.6 m -119.14 144.28 46.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.668 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.8 m -125.97 151.94 46.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.215 0.531 . . . . 0.0 111.022 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -89.08 100.37 13.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.539 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 t -81.01 109.42 15.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -80.41 65.92 5.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.414 0.626 . . . . 0.0 110.14 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.58 137.58 13.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.333 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.81 39.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -173.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.0 ptp -92.73 2.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.417 0.627 . . . . 0.0 109.409 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.0 t -109.28 146.15 34.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.998 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -101.01 134.77 43.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.187 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -57.68 141.8 47.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.73 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.6 tt -75.06 125.55 29.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.843 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 1.073 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.33 129.13 7.91 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.645 HD13 ' HG ' ' A' ' 92' ' ' LEU . 43.5 tp -110.64 130.56 55.54 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.3 m -116.29 108.27 15.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.065 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.765 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.1 m -114.77 155.11 27.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.439 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.59 90.78 0.57 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.218 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 6.0 pt-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.253 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -149.65 155.32 40.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.52 23.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.299 0.571 . . . . 0.0 110.469 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HA ' ' HG3' ' A' ' 79' ' ' LYS . 2.4 t80 -103.78 -19.43 14.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.8 135.19 43.13 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.046 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.93 -20.81 33.54 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.865 2.376 . . . . 0.0 112.373 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.66 4.58 53.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.456 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.83 112.87 20.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.6 mm-40 -77.66 110.14 12.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.42 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.327 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -153.8 160.03 42.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.408 . . . . 0.0 110.483 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.629 ' H ' HD21 ' A' ' 84' ' ' LEU . 96.4 mt -100.06 133.56 44.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 168.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -70.13 165.92 20.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 39' ' ' ARG . 37.1 mtp180 -62.38 -74.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.15 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t 60.39 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.524 0.515 . . . . 0.0 111.562 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -128.97 -50.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.384 0.611 . . . . 0.0 109.565 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -135.51 139.5 44.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.635 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.8 -15.99 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.123 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 60.7 m -104.86 18.64 21.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 0.0 110.083 173.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 42.7 tt0 -156.46 81.54 0.97 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.73 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.83 -155.93 7.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.012 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.418 HE21 ' HD2' ' A' ' 95' ' ' PHE . 10.7 mp0 -91.3 138.65 31.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 tp -81.89 114.33 20.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -107.58 134.28 50.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.1 m -127.89 152.86 36.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.5 t80 -91.86 114.36 26.87 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.204 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.1 mt -117.16 -160.18 0.76 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.49 -30.93 70.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.501 0.191 . . . . 0.0 111.4 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -98.97 11.72 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.64 -159.4 15.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.759 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.424 ' CZ2' ' HB3' ' A' ' 34' ' ' GLN . 85.7 m95 -83.43 117.36 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.605 0.238 . . . . 0.0 110.627 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -140.43 153.72 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.139 0.495 . . . . 0.0 111.466 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.449 ' O ' ' HA ' ' A' ' 104' ' ' SER . 70.5 mtp -76.46 131.25 38.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.191 -175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.77 133.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB3' HG12 ' A' ' 106' ' ' ILE . 8.4 t -93.14 141.91 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.1 p -74.05 -1.67 21.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -89.9 15.58 9.66 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.692 0.758 . . . . 0.0 110.355 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -75.9 153.57 36.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 61.36 25.37 15.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.677 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.5 24.74 69.6 Favored Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.376 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -91.81 161.09 15.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.923 0.392 . . . . 0.0 110.287 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 p -77.09 145.75 37.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.996 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -75.58 55.48 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.697 0.761 . . . . 0.0 110.266 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 8.2 mmpt? -142.65 175.59 9.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 2.2 pm0 -94.45 118.15 31.2 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.96 174.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -83.57 -168.65 2.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.1 -49.6 75.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -172.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -115.83 103.33 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 0.0 111.069 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -91.02 2.06 4.71 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.795 2.33 . . . . 0.0 112.186 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.589 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 24.6 m -92.47 5.65 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.946 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.03 -8.51 53.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.186 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.71 24.67 7.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.603 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.6 p -54.9 -42.76 72.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.215 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 29' ' ' TYR . 71.8 mmtt -58.55 -35.07 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.815 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.97 -51.37 50.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m -58.45 -41.26 84.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.465 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -62.09 -46.5 88.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.339 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -73.49 -12.12 60.68 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.9 mp -98.87 6.44 46.81 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 174.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 63.29 36.61 11.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.19 164.23 12.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.9 -170.47 40.77 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.595 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 m-20 -57.17 148.4 52.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 122.935 0.494 . . . . 0.0 111.509 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.589 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 9.1 Cg_exo -71.38 113.19 3.53 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.049 2.499 . . . . 0.0 112.171 178.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 133' ' ' LEU . 2.5 tt -85.61 -39.2 17.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.862 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 43.4 m -143.87 157.71 44.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -175.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 130' ' ' LEU . 22.3 tp -153.87 172.29 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 92' ' ' LEU . . . 117.21 -128.75 8.01 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.457 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -85.8 132.5 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.625 2.216 . . . . 0.0 112.66 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.921 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 37.4 t80 -127.18 100.76 6.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 90.2 mt 75.09 165.57 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.997 0.811 . . . . 0.0 111.239 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' HG2' ' HD1' ' A' ' 99' ' ' TYR . 40.0 ttmt -103.28 81.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -57.98 -58.56 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.663 -171.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.573 ' HA ' ' O ' ' A' ' 123' ' ' ASP . 5.3 m-85 52.75 52.86 13.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.272 0.558 . . . . 0.0 110.679 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -143.06 87.99 8.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.16 -31.21 30.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.52 2.147 . . . . 0.0 112.426 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -82.53 40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.53 0.681 . . . . 0.0 110.718 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 m -162.61 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.067 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.1 p -99.3 150.02 22.54 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.299 0.571 . . . . 0.0 111.707 -174.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.02 147.88 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.263 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 ' HB3' ' A' ' 60' ' ' CYS . 70.7 mt -118.06 120.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.929 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.9 m -95.23 152.69 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -129.47 160.34 33.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.378 176.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.81 -143.53 16.37 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.694 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.72 148.56 22.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -52.87 113.41 1.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.565 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.28 -10.78 47.31 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.467 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t -89.77 107.63 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.0 110.423 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.14 35.2 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.906 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 m -80.59 -35.05 34.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.236 -175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -126.59 100.15 6.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 38.8 m -124.18 136.3 54.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.0 m -114.53 145.69 41.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.009 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -72.16 126.62 30.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -67.49 128.78 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.034 0.445 . . . . 0.0 110.94 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 6.8 tpt180 -106.39 6.44 30.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.715 0.769 . . . . 0.0 109.453 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -112.71 131.51 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.459 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.2 p30 -69.1 -28.97 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.818 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -75.72 73.59 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.305 0.574 . . . . 0.0 110.597 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.03 127.3 30.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.32 121.67 43.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.236 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.1 m -59.48 142.75 51.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.619 HD21 HD11 ' A' ' 92' ' ' LEU . 9.2 tt -73.96 120.09 19.07 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.591 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.921 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.71 149.79 16.79 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.794 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 92' ' ' LEU . 59.4 tp -133.16 121.7 22.95 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 27.2 m -108.02 96.61 6.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 4.9 m -94.07 146.53 23.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 90' ' ' LEU . 85.6 mt -61.06 98.31 0.07 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 28.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.931 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 29' ' ' TYR . 42.8 m -148.56 159.03 44.47 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 25.46 0.1 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.529 0.681 . . . . 0.0 110.646 177.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' H ' ' C ' ' A' ' 27' ' ' SER . 85.5 t80 -113.66 -12.39 12.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.076 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.38 137.87 23.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 -13.75 35.58 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.044 2.496 . . . . 0.0 113.436 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -104.18 10.42 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 111.249 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -92.19 138.14 31.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.777 0.322 . . . . 0.0 110.162 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 43.7 mm-40 -118.04 136.03 53.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 111.638 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 154.48 42.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.828 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -151.02 160.28 44.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 110.641 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 44' ' ' CYS . 91.1 mt -109.67 144.45 38.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 p -72.14 159.72 33.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.136 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.79 -56.95 12.95 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.13 0.269 . . . . 0.0 110.67 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t 50.4 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.081 0.863 . . . . 0.0 112.206 172.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -125.64 -47.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.793 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 14.5 m -126.7 147.5 49.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -72.53 -10.36 59.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.595 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 93.9 m -113.01 29.23 8.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.4 168.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 52.2 tt0 -153.52 88.91 1.3 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.246 0.546 . . . . 0.0 110.043 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.44 -162.22 21.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.974 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -80.71 141.53 34.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.5 tp -85.47 117.12 24.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.671 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -111.07 131.86 54.73 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.75 153.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -97.07 109.07 21.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.616 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -114.21 -172.42 2.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.55 -32.96 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 111.17 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.61 -9.46 58.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.498 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.51 -170.65 18.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.581 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 96.9 m95 -68.01 125.97 28.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.061 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -142.13 150.87 41.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.4 mtp -79.84 142.45 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.94 137.36 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.85 141.8 28.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.733 ' HA ' HD12 ' A' ' 128' ' ' LEU . 15.8 p -65.01 -23.18 67.13 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -170.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -90.23 54.92 2.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.327 0.584 . . . . 0.0 110.037 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.6 m -112.53 158.45 19.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.769 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 65.94 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.152 0.908 . . . . 0.0 111.777 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.02 39.75 0.38 Allowed Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.595 HH22 HD22 ' A' ' 111' ' ' LEU . 23.4 mmt85 -125.13 158.8 32.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -129.31 -152.23 0.51 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -83.65 -12.53 55.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 110.694 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.859 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 10.7 mmpt? -81.69 131.85 35.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.25 118.06 12.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.75 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 16.4 p90 -73.45 169.15 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -60.27 -55.94 27.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.486 -170.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -121.13 103.31 42.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.727 -175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -87.33 2.17 6.9 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.658 2.905 . . . . 0.0 112.254 176.623 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.839 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 m -73.09 -4.64 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -170.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -68.95 -12.31 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.167 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.49 12.75 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 p -57.64 -33.7 68.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.324 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.89 -40.11 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.438 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.53 -47.52 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -61.45 -40.02 92.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.802 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.614 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.4 mmp_? -68.83 -22.7 64.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.748 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.09 9.17 42.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.383 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 61.08 36.81 18.2 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.063 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.0 m -115.84 168.73 9.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.883 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.34 -150.86 10.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.53 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.42 156.86 59.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.839 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 3.8 Cg_exo -76.81 114.19 3.79 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.945 2.43 . . . . 0.0 111.506 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.24 -40.95 67.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.65 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -155.42 152.06 28.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.909 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.75 HD22 ' HZ2' ' A' ' 71' ' ' TRP . 1.2 tt -148.9 126.46 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.81 -157.48 29.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.102 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.03 120.63 7.81 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.569 2.179 . . . . 0.0 111.965 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 44.4 t80 -134.58 118.66 17.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.9 mt 71.12 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.796 0.808 . . . . 0.0 111.5 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.0 mttt -86.38 65.22 8.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.229 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -74.28 -43.76 55.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 38.1 m-85 53.04 66.43 1.23 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.36 0.6 . . . . 0.0 111.697 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -123.5 80.32 54.2 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.165 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.56 ' HB2' ' O ' ' A' ' 120' ' ' SER . 50.1 Cg_endo -68.26 -10.98 30.61 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.99 2.46 . . . . 0.0 113.413 -171.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -79.1 -16.64 56.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.428 0.632 . . . . 0.0 109.73 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 m -111.08 -32.61 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.993 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.8 p -91.78 120.69 32.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.562 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.7 pt -105.5 149.72 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -108.41 123.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.9 m -99.66 144.58 28.57 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -115.25 146.25 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.94 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.73 -153.02 16.89 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.652 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.42 147.02 42.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.595 HD22 HH22 ' A' ' 66' ' ' ARG . 47.5 tp -54.27 109.2 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.118 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.38 -13.32 25.75 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.242 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -88.51 119.24 28.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 111.003 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.65 25.83 10.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.338 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -64.69 -40.77 95.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.582 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -127.79 93.41 3.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.236 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 32.8 m -114.4 139.08 49.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.345 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -114.23 145.42 41.74 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.358 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.43 122.11 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 46.6 t -69.39 128.72 37.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -107.32 32.82 4.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.91 0.862 . . . . 0.0 109.08 173.327 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -134.22 135.16 42.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.274 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -85.04 17.15 3.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.768 0.318 . . . . 0.0 111.708 -172.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mtp -106.49 22.92 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.316 0.579 . . . . 0.0 110.3 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 106.04 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.563 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 37.0 m-70 -77.87 127.02 31.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.898 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -58.46 135.93 57.38 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.239 0.337 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.9 tt -89.25 124.09 34.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.957 0.408 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -113.79 143.04 17.8 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.731 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.0 tp -127.63 118.65 24.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 69.3 m -105.87 110.09 22.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.266 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.7 m -99.67 153.06 19.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.45 93.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.084 0.469 . . . . 0.0 109.846 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 33.3 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.072 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 29' ' ' TYR . 5.1 m -84.95 135.8 33.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.81 -177.448 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 23.59 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.153 0.501 . . . . 0.0 111.69 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 27' ' ' SER . 83.0 m-85 -108.88 -17.46 13.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 174.813 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 11.6 m-20 -66.92 138.64 95.24 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 -178.321 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 24.2 Cg_exo -62.09 -25.01 77.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.331 2.687 . . . . 0.0 112.786 -176.224 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -90.66 -3.57 57.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.355 -177.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -74.04 136.42 43.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 58.8 mt-30 -113.55 120.44 40.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -174.366 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -145.59 157.91 43.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -149.6 167.47 26.26 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.1 mt -113.07 133.4 55.01 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.587 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -63.25 152.65 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.147 -177.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.908 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -71.74 70.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.511 0.672 . . . . 0.0 110.962 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.65 -22.58 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.58 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -174.93 -36.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 109.43 -178.27 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 35.8 t -153.47 159.06 42.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.546 177.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.92 16.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.841 0.353 . . . . 0.0 110.686 -178.594 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 15.2 t -129.67 6.44 5.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.445 0.64 . . . . 0.0 109.839 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 24.9 pt20 -153.78 118.29 4.92 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.458 178.482 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.09 -154.93 25.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.373 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.14 140.49 32.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 tp -81.81 118.63 23.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.889 0.376 . . . . 0.0 111.058 -178.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.97 133.11 55.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.625 172.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.97 148.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.012 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 60.7 t80 -88.18 106.07 17.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 -178.09 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.1 mt -89.21 174.0 8.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -53.71 -36.12 61.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.199 0.454 . . . . 0.0 111.272 -176.122 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 8.5 m-20 -65.9 -62.32 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.551 176.352 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.49 -160.17 27.56 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.045 -177.064 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.441 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -74.38 123.83 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 110.752 -177.017 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.42 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.9 m80 -125.33 140.46 52.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.646 -178.617 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.459 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 74.3 mtp -79.68 133.15 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.551 -178.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.87 127.89 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.8 140.4 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.18 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 1.17 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -97.91 38.13 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 109.648 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.9 m -107.69 149.5 28.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.526 -176.39 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 58.3 -106.36 0.3 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.521 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.6 17.2 13.88 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.711 ' HD3' ' HD1' ' A' ' 71' ' ' TRP . 20.9 mmt180 -99.8 152.42 20.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.039 0.447 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.7 t -136.3 -159.05 0.92 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -178.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.2 m -80.07 39.66 0.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.443 0.639 . . . . 0.0 110.81 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -153.95 150.61 28.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.355 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -91.07 134.96 34.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.237 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.711 ' HD1' ' HD3' ' A' ' 66' ' ' ARG . 94.2 m95 -94.87 175.52 6.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -76.65 6.0 6.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -119.76 77.52 21.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.088 0.47 . . . . 0.0 111.454 -179.194 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -87.42 -24.43 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.163 1.909 . . . . 0.0 113.521 -177.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.932 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.2 m -81.96 13.52 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.668 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.03 -15.96 62.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 111.276 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -100.28 22.81 10.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.849 0.357 . . . . 0.0 110.959 -178.703 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.702 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 11.7 p -56.11 -47.13 78.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.82 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -60.73 -32.7 71.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.095 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.14 -48.03 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.315 177.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.39 -40.53 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.522 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.94 -38.32 90.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.996 0.427 . . . . 0.0 110.273 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -30.75 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.628 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.87 6.93 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.418 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 64.7 33.92 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.612 -178.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.39 -171.05 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -144.45 13.46 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.48 173.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -87.82 154.32 52.84 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.809 0.338 . . . . 0.0 110.461 178.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.932 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 71.2 Cg_endo -77.24 135.56 15.24 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.091 2.527 . . . . 0.0 113.37 -175.166 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.39 -44.46 10.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.097 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t -144.92 149.36 35.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.439 -176.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 130' ' ' LEU . 64.2 tp -153.46 108.72 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 -179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.1 -155.1 16.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.226 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.24 67.39 5.23 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.21 2.607 . . . . 0.0 111.741 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 87.2 t80 -71.88 -40.75 68.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.933 -173.174 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 21.4 tp -145.14 171.54 14.37 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.689 -175.333 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 43.3 mtmt -132.65 99.26 4.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 m -78.05 -19.04 55.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.477 0.656 . . . . 0.0 109.887 176.553 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.413 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 0.2 OUTLIER 60.98 34.37 19.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.305 172.283 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.7 m -104.66 99.79 20.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.085 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 98.2 Cg_endo -87.48 55.22 2.82 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.905 2.403 . . . . 0.0 112.564 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -137.69 -73.15 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 t -88.16 12.07 14.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.43 . . . . 0.0 110.849 -178.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.0 p -90.87 143.17 26.99 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.33 140.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.554 0.692 . . . . 0.0 111.652 -177.072 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 120' ' ' SER . 49.8 mt -107.23 115.78 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.46 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.47 149.5 26.13 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.397 -174.341 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.44 162.8 17.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.179 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.93 -153.53 17.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.328 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -86.32 139.35 31.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -52.6 111.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.018 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.48 -14.29 18.02 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -98.37 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.326 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -87.18 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.321 0.582 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 m -82.64 -68.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.869 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -106.21 96.62 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.647 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.8 m -116.48 133.33 56.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m -112.57 139.94 47.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.59 0.233 . . . . 0.0 110.93 -176.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -61.3 133.37 55.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB2' HG13 ' A' ' 106' ' ' ILE . 39.3 t -87.93 117.75 27.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.296 0.569 . . . . 0.0 111.214 -175.023 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -90.75 -4.87 56.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.487 173.094 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.49 122.11 21.65 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.29 -34.98 73.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.587 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.77 40.7 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.731 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 t -76.74 111.68 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -74.15 119.24 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.089 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -76.16 134.6 39.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -174.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.76 115.8 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.018 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.88 129.99 9.96 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.015 -178.427 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -118.53 132.06 56.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.9 m -119.57 110.72 17.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 27.5 m -103.5 149.23 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.732 0.301 . . . . 0.0 110.312 -179.399 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.9 136.38 56.79 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 177.396 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.377 -0.82 . . . . 0.0 109.112 175.056 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -125.09 161.11 27.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.789 -178.134 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.689 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -73.8 15.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.717 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.689 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 5.2 m-85 -119.94 8.83 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.419 174.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 26.3 m-20 -86.31 137.4 34.73 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.233 176.652 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.6 Cg_exo -59.12 -23.87 71.07 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.605 2.87 . . . . 0.0 114.047 -170.716 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -119.33 22.79 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.574 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -79.2 113.7 17.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.258 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.64 139.42 38.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.178 0.513 . . . . 0.0 111.119 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -146.21 157.44 43.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.364 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -154.86 166.85 32.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 110.064 178.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.8 mt -114.36 119.59 37.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.849 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.514 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 12.5 p -59.94 126.81 28.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.491 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 22.4 mtp180 -44.22 -70.3 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 124.078 0.861 . . . . 0.0 112.48 -167.445 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t 66.66 -60.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.339 0.399 . . . . 0.0 110.817 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -127.49 -49.71 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.899 0.381 . . . . 0.0 109.991 176.028 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -143.96 174.1 11.14 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.727 -177.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -30.82 62.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.681 0.276 . . . . 0.0 111.054 -174.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 84.5 m -107.98 22.12 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.456 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -150.28 93.75 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.243 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . -170.29 -161.11 20.25 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.211 -177.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 69.1 mt-30 -90.65 132.17 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.887 0.375 . . . . 0.0 110.226 -176.364 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.53 127.93 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.296 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.39 134.94 54.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.615 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.58 151.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.138 177.643 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -92.05 106.33 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.709 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 105' ' ' ILE . 78.9 mt -96.06 -173.47 2.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.71 177.426 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 37.1 ttmt -58.46 -47.27 84.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.334 . . . . 0.0 110.433 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 4.4 m-20 -65.9 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.902 178.358 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.61 -160.67 26.11 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.477 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.3 m95 -65.44 127.98 34.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.465 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.8 m80 -137.83 146.41 43.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.26 178.765 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.7 mtp -80.36 152.97 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 -177.313 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -102.15 130.59 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.403 177.612 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.16 139.45 33.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.127 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.491 ' HB2' ' ND1' ' A' ' 126' ' ' HIS . 6.5 m -70.44 -4.02 20.52 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -79.84 8.75 6.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.112 0.482 . . . . 0.0 110.177 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 106' ' ' ILE . 14.4 t -83.83 153.47 24.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.987 -174.475 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 54.9 33.29 19.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.516 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.52 30.4 68.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.11 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -109.17 172.48 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.292 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -139.49 -144.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.093 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.471 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 40.6 m -76.22 -6.78 52.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.62 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 71.6 mmtt -96.38 134.18 39.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -73.45 145.84 45.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.357 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.662 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 25.4 p90 -87.39 159.78 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 110.282 176.638 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -73.98 -25.7 60.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.986 -164.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -119.21 94.13 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.238 -176.174 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.6 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 4.7 Cg_exo -76.8 -13.67 17.68 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.927 2.418 . . . . 0.0 112.465 177.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.6 p -72.17 2.62 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -175.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.96 -14.08 61.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.076 0.465 . . . . 0.0 110.176 172.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 21.11 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.685 -177.224 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.42 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.9 m -60.66 -32.89 72.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.707 0.289 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 72.3 mmtt -64.15 -32.4 73.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 177.274 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.97 -51.75 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.0 m -58.94 -36.7 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.476 178.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -64.14 -36.33 83.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 178.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 30.1 mmm180 -65.48 -26.75 68.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.515 178.202 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.19 4.19 53.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.972 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.66 32.53 18.42 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.582 -178.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.6 m -98.83 178.55 4.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.95 -162.28 32.04 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.001 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.06 154.6 86.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.606 0.241 . . . . 0.0 110.913 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.8 Cg_exo -74.51 117.07 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.653 2.235 . . . . 0.0 111.652 178.556 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tt -81.5 -43.82 18.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.5 -178.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.443 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 12.2 p -146.04 148.5 32.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.887 -177.116 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.872 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -147.14 89.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -178.654 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.73 -169.59 25.26 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.761 -177.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 24.5 Cg_exo -64.04 135.46 47.64 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.407 2.071 . . . . 0.0 112.205 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.603 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 68.5 t80 -127.5 91.9 3.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.802 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.9 mt 62.83 -171.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.156 178.188 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -133.89 100.59 4.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.041 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 m -79.06 -13.89 59.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.269 -179.213 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 74.5 m-85 63.18 58.71 1.38 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.511 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 p -117.57 73.63 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.834 0.349 . . . . 0.0 111.004 177.448 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.861 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . 1.8 Cg_endo -81.42 51.51 3.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.438 2.758 . . . . 0.0 112.484 -174.461 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -163.89 -49.97 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.481 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -31.42 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.658 177.155 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' MET . 55.0 p -86.33 142.1 28.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.896 -178.154 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 52' ' ' LEU . 32.6 pt -115.44 155.5 16.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.82 178.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' SER . 80.4 mt -123.15 113.78 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.19 176.547 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 59.7 m -93.26 154.65 17.89 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.0 156.42 38.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.76 -116.23 5.17 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.588 175.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -89.8 128.56 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.532 0.333 . . . . 0.0 111.69 -170.571 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.56 115.13 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.008 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.96 -14.74 28.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.6 t -92.01 112.08 23.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.902 0.382 . . . . 0.0 110.25 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.8 m-85 -100.4 24.51 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.225 178.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.4 p -80.25 -33.57 37.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -178.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.48 83.09 1.95 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.165 0.507 . . . . 0.0 109.831 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.0 m -124.99 143.19 51.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.351 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 t -120.29 152.6 37.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.445 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -67.05 141.89 57.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.9 t -61.97 97.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.905 -176.101 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -66.65 -31.71 72.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.471 0.653 . . . . 0.0 109.689 177.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -79.47 124.3 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.711 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.861 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 7.0 p-10 -77.23 -15.02 59.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 -178.639 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 87.0 mtp -88.06 57.9 4.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.172 0.51 . . . . 0.0 110.025 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.4 t -91.75 118.28 30.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.491 ' ND1' ' HB2' ' A' ' 61' ' ' SER . 5.5 p80 -85.4 122.03 28.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.367 170.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 147.72 51.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.64 -173.749 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' A' ' 92' ' ' LEU . 9.9 tt -93.72 129.57 40.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.642 -178.371 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.603 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.54 129.77 8.61 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.308 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.872 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.8 tp -113.15 131.27 55.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.22 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.443 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 97.6 m -120.26 109.78 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.848 0.356 . . . . 0.0 110.635 179.025 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 9.0 m -102.3 144.34 30.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.176 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.32 101.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.572 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 174.11 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.701 ' N ' ' HG ' ' A' ' 115' ' ' SER . 94.5 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.621 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 16.9 p -149.76 155.63 40.47 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.516 -177.364 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.26 7.66 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.204 0.526 . . . . 0.0 110.55 176.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.621 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 97.2 m-85 -86.93 -15.37 39.12 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.674 175.283 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 21.1 m-20 -79.1 124.44 84.59 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.283 177.312 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.53 -23.75 74.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.993 2.462 . . . . 0.0 113.143 -172.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -112.04 15.81 20.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.217 -178.015 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 66.5 t80 -56.92 128.91 39.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.473 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 88.1 mm-40 -83.45 99.7 10.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.027 0.441 . . . . 0.0 111.189 -174.479 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.09 150.36 45.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.079 177.485 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -145.77 145.84 30.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.419 -179.017 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -99.93 131.42 45.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -62.33 137.05 58.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 56.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.369 0.604 . . . . 0.0 110.954 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -72.15 -57.0 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.536 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -108.34 -35.78 6.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.521 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -163.14 -179.83 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.754 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.01 -34.94 73.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.782 -178.126 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.741 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.4 m -104.8 29.41 6.27 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.154 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -153.51 107.75 3.07 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 111.213 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.48 -158.36 26.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.636 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -81.47 145.16 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -85.37 111.74 20.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -178.094 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 49.0 mt-10 -106.8 126.39 52.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.762 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.89 152.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.204 -179.471 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 84.4 t80 -89.47 98.04 11.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.1 tp -88.61 -175.75 5.04 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 10.4 mtmp? -68.59 -19.74 64.47 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.145 -177.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' HD23 ' A' ' 52' ' ' LEU . 5.1 p-10 -93.59 -7.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.15 -169.53 15.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.736 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.24 124.05 23.19 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.978 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -148.11 157.58 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 177.215 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.9 mtp -83.48 137.95 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.42 133.02 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 38.1 t -92.84 143.99 25.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.145 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -66.24 -15.1 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.518 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 106' ' ' ILE . 10.5 mm100 -76.13 -5.25 45.82 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.748 178.206 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -60.79 150.69 31.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -175.334 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 64.51 19.21 11.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.801 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.64 54.97 16.3 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.377 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -128.98 153.62 47.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 p -88.5 155.61 19.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.784 175.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 94' ' ' PRO . 18.6 m -78.52 76.28 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.034 0.445 . . . . 0.0 111.345 -176.37 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -130.58 143.74 50.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.0 121.99 18.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.291 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -78.19 167.49 21.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.409 -174.176 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -66.89 -46.73 73.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.867 -177.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.51 103.12 16.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.409 -177.128 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.33 2.92 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 123.225 2.617 . . . . 0.0 112.394 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -64.37 -13.49 51.01 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.832 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -15.72 63.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 0.0 110.064 177.011 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.77 14.66 27.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 p -57.72 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.351 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.58 -33.55 75.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.334 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.13 -47.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.863 177.673 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.5 m -62.01 -41.24 97.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.052 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.25 -34.95 79.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.92 -37.35 86.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.926 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -91.6 6.5 45.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 m120 60.09 45.7 11.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.47 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 -172.23 2.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.37 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.59 -134.18 6.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.514 178.576 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.89 150.48 69.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.798 0.332 . . . . 0.0 111.146 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 56.8 Cg_endo -78.44 101.73 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.85 2.367 . . . . 0.0 111.487 175.597 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD12 HD21 ' A' ' 133' ' ' LEU . 1.9 tt -66.1 -47.08 75.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.378 -174.566 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m -151.32 142.75 23.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -176.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 130' ' ' LEU . 10.4 tt -134.61 141.8 46.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.058 177.335 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.51 -139.62 7.0 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HB3' ' HB3' ' A' ' 68' ' ' SER . 93.9 Cg_endo -83.17 120.23 2.91 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.481 2.12 . . . . 0.0 112.107 179.219 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.013 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 20.2 t80 -106.4 82.61 1.76 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.115 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt 65.77 178.99 0.2 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.901 -179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -125.39 93.18 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.861 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -79.47 -10.89 59.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.737 -175.236 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.598 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 4.0 m-85 59.47 67.47 0.89 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -121.5 58.68 8.51 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.385 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 1.8 Cg_endo -81.01 18.73 1.25 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.256 2.637 . . . . 0.0 111.853 -174.149 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -123.77 14.67 9.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.853 0.835 . . . . 0.0 108.805 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -145.85 -30.02 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 56.9 p -72.02 130.85 41.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.946 0.403 . . . . 0.0 111.436 -178.241 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.3 pt -114.54 154.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.506 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.551 HD11 ' HB2' ' A' ' 62' ' ' GLN . 8.6 mt -122.21 123.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.695 177.108 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 55.2 m -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.16 145.34 46.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.8 11.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.748 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -85.0 146.34 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.955 -175.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.03 111.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 178.706 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.33 -11.31 26.33 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.354 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.8 t -93.88 116.55 29.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.411 0.624 . . . . 0.0 110.835 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -102.89 22.08 14.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.701 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 19.4 m -69.73 -20.54 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.518 -174.066 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -148.87 103.13 3.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.963 0.411 . . . . 0.0 110.184 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 35.0 m -123.96 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.378 -177.674 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.3 m -125.25 144.05 50.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.871 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.59 130.33 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 t -94.65 133.85 37.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -172.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 8.8 tpt180 -108.78 48.12 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.586 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 125' ' ' CYS . 12.2 t-20 -113.13 112.61 24.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.949 -178.24 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.85 -39.98 87.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.847 -173.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 88.2 mtp -97.41 37.27 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -73.38 106.27 5.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.744 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.78 118.92 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.453 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 128.69 37.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 tt -76.18 125.25 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 1.013 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.91 139.45 13.91 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.176 -178.683 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 92' ' ' LEU . 53.1 tp -124.03 126.05 45.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.74 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.1 m -107.31 104.62 14.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.231 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.741 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 34.0 m -100.13 140.86 33.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.448 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 90' ' ' LEU . 94.9 mt -67.35 146.34 54.18 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.424 ' HG2' ' SG ' ' A' ' 44' ' ' CYS . 25.6 mt-10 . . . . . 0 C--N 1.316 -0.857 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.193 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.642 ' N ' ' HG ' ' A' ' 115' ' ' SER . 92.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 29' ' ' TYR . 48.9 m -120.34 161.55 20.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.117 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.501 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -76.75 21.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.41 0.624 . . . . 0.0 110.759 175.839 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.501 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 3.1 m-85 -110.81 -11.34 14.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 174.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.41 136.33 60.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.28 -179.252 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.96 -3.86 14.55 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.94 2.427 . . . . 0.0 112.107 -176.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.41 4.96 26.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.013 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -77.96 103.73 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 9.8 mm-40 -91.76 129.45 37.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.494 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 149.1 31.79 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 178.215 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD11 ' A' ' 84' ' ' LEU . 35.8 ptt180 -144.28 159.66 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.201 0.524 . . . . 0.0 110.097 -179.616 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.5 mt -97.85 120.66 38.63 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 172.113 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -52.98 154.35 2.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.806 0.691 . . . . 0.0 111.523 -173.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HD2' ' HD3' ' A' ' 43' ' ' LYS . 16.7 mmm180 -42.61 -64.2 0.65 Allowed 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.238 0.961 . . . . 0.0 110.545 -177.224 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 t 50.25 -91.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.979 0.8 . . . . 0.0 112.231 173.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.99 -42.32 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.344 0.592 . . . . 0.0 109.409 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -153.36 141.08 20.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' HD2' ' A' ' 39' ' ' ARG . 53.0 mtmt -84.87 12.55 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -169.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 29.3 t -112.07 3.16 17.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.762 0.792 . . . . 0.0 109.192 171.766 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -155.39 87.15 1.1 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.039 175.778 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.4 -158.51 8.97 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.36 -174.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -79.98 134.52 36.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.123 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -72.61 107.38 5.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -112.05 121.14 44.16 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.239 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.13 148.92 10.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.645 -176.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -97.31 103.57 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.177 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.2 -179.5 5.66 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 173.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 4.7 ttpm? -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.503 0.668 . . . . 0.0 109.571 177.626 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.37 7.29 36.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.513 -174.685 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.06 -170.76 13.45 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.324 174.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 98.5 m95 -80.62 129.64 34.64 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 122.327 0.251 . . . . 0.0 110.381 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -139.96 141.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.472 177.734 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 mtm -86.16 136.68 33.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.1 t -82.84 126.04 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.7 143.55 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.031 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -60.83 -20.2 61.26 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.078 -176.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -91.18 42.45 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 152.63 20.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 54.68 -137.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.82 26.54 22.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.833 174.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -92.9 110.51 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.877 0.37 . . . . 0.0 110.262 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.488 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 18.2 m -70.94 165.12 24.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.004 175.243 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -74.51 64.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.383 0.611 . . . . 0.0 111.768 -177.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 70' ' ' GLN . 40.7 ttmt -158.11 165.15 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.697 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 9.8 tt0 -78.5 139.35 38.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 175.231 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 72.2 m95 -110.3 155.5 22.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.252 -178.045 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -83.34 40.51 0.72 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -169.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -162.74 74.05 2.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.968 0.413 . . . . 0.0 110.206 174.021 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.82 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.1 Cg_endo -83.81 -9.96 9.66 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.79 2.327 . . . . 0.0 111.71 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' SER . . . . . 1.017 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 43.4 m -72.28 -5.64 37.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.743 -175.447 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.44 -13.78 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.078 175.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.24 26.56 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 11.9 p -56.52 -53.46 57.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.898 -177.071 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 40.8 ttmt -63.13 -27.98 69.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.345 -176.728 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.5 -50.12 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.68 -33.99 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.39 178.026 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.5 mm-40 -65.91 -37.92 87.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.887 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.4 mmm180 -65.5 -23.18 66.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.949 0.404 . . . . 0.0 110.674 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 36' ' ' ARG . 93.6 mt -101.94 10.56 39.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.545 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 58.65 44.18 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.78 0.8 . . . . 0.0 110.862 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -115.1 169.7 8.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.698 174.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.72 -140.23 1.74 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.756 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.83 150.74 86.37 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 1.017 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.1 Cg_endo -79.91 115.98 3.37 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.876 2.384 . . . . 0.0 112.007 177.49 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 133' ' ' LEU . 88.0 mt -90.47 -45.84 8.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.018 -173.515 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -133.53 141.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 0.0 111.588 -172.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 74' ' ' PRO . 4.8 mt -139.68 84.05 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.068 177.308 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.67 174.93 32.93 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 119.289 -0.728 . . . . 0.0 111.612 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.46 123.57 13.1 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.488 2.125 . . . . 0.0 111.796 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -98.41 -76.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.538 -172.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 79.0 mt -137.3 170.09 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.461 0.648 . . . . 0.0 111.718 -176.065 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -113.54 96.49 5.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.164 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.2 p -108.19 36.93 2.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.953 -174.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 64.38 103.6 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.328 0.585 . . . . 0.0 110.159 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.501 ' HB ' ' OG ' ' A' ' 104' ' ' SER . 19.0 p -128.88 67.64 78.08 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.107 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -87.72 -11.97 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.084 1.856 . . . . 0.0 111.939 176.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -153.59 -32.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.558 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -61.25 -30.73 70.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.733 -172.59 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.501 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 56.4 p -95.15 124.53 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.157 0.503 . . . . 0.0 111.118 -175.588 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.2 pt -104.53 142.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.563 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.6 mt -105.86 118.3 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.2 t -94.88 139.66 31.0 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.809 -177.732 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -109.9 156.72 20.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.601 -175.439 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.34 -129.76 9.21 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.669 178.465 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -114.38 143.98 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -175.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.2 114.85 1.61 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.801 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.65 10.42 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.644 -177.74 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.2 t -94.84 113.3 25.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.78 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.8 19.99 19.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.251 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.642 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 15.4 m -67.73 -34.01 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.687 -175.122 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -141.28 94.05 2.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.143 0.497 . . . . 0.0 110.304 -179.283 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -117.08 142.18 47.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.617 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.7 m -121.99 155.83 34.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.828 0.347 . . . . 0.0 111.344 -173.354 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -79.7 134.15 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 -177.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -91.14 128.33 36.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 13.0 tpt85 -98.2 5.13 48.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.466 -178.062 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -106.48 129.1 54.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.11 56.3 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.647 0.737 . . . . 0.0 110.534 -174.029 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -124.54 11.72 8.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 174.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.41 138.58 31.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.179 -178.767 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -105.55 130.43 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -65.42 133.37 51.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.901 0.381 . . . . 0.0 110.524 -178.168 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.92 124.48 23.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.28 133.14 11.31 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.536 -175.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.474 ' HB3' HD21 ' A' ' 37' ' ' LEU . 67.3 tp -117.0 116.04 26.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.471 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.2 m -101.85 109.13 20.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.016 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.84 154.9 18.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 90' ' ' LEU . 19.0 mt -60.67 113.14 2.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.009 0.433 . . . . 0.0 110.085 175.37 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.447 ' OE1' ' HB3' ' A' ' 44' ' ' CYS . 36.5 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.075 -174.246 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 94.5 mt . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.002 0.43 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 29.8 m -90.31 151.59 21.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.48 22.48 0.17 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.05 0.452 . . . . 0.0 112.069 -176.734 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -108.29 -15.69 14.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.963 172.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.05 136.75 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 178.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.74 -11.5 21.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.486 2.124 . . . . 0.0 111.459 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.24 -9.87 55.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.242 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -80.63 134.27 35.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.175 -178.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -121.03 132.56 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.022 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.09 157.44 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.056 178.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -139.3 145.78 39.54 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.67 125.5 49.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.324 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -61.37 128.31 35.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.3 -18.11 56.94 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.762 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t 30.64 -86.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.897 1.279 . . . . 0.0 113.814 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -105.6 -41.69 5.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.252 0.549 . . . . 0.0 109.926 177.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 13.6 t -147.56 146.45 29.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.774 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -57.28 -22.84 44.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -167.131 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.803 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 79.7 m -113.37 26.11 10.71 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.607 -177.233 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 9.9 pt20 -155.27 100.21 2.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.152 175.595 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -173.88 -156.72 13.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.554 -175.062 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -75.87 136.79 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.191 -0.299 . . . . 0.0 110.191 -177.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -89.82 112.17 23.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 -178.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.09 128.87 55.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.45 151.37 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -94.55 112.15 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.892 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 105' ' ' ILE . 84.3 mt -94.04 -168.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.994 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -61.56 -27.26 68.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.1 -68.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.841 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.29 -158.35 9.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.122 -178.382 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.43 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.1 m95 -85.07 130.08 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.854 0.359 . . . . 0.0 110.466 -178.088 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -139.14 151.56 46.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.025 0.44 . . . . 0.0 110.971 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 75.4 mtp -85.52 131.47 34.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.628 -175.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.72 126.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.13 142.83 27.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.462 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -80.07 32.85 0.27 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.548 -178.137 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -120.99 24.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.434 174.4 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.9 m -92.78 157.26 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -175.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 60.57 14.4 4.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.176 175.053 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.28 66.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.998 -177.536 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.474 HH12 HD22 ' A' ' 111' ' ' LEU . 23.1 mmt85 -107.74 136.97 46.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 t -76.24 154.97 34.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 -177.716 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -77.62 72.37 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 111.56 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -144.46 161.67 38.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.207 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -63.13 105.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.277 0.361 . . . . 0.0 110.199 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -77.47 136.49 38.36 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 58.03 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 111.265 -172.21 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -169.58 69.55 0.65 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.643 172.651 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.47 -14.78 17.93 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.042 1.828 . . . . 0.0 111.665 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -70.18 -16.72 63.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.252 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.34 -35.21 67.35 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 170.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.66 10.88 38.82 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.238 -175.166 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.92 -35.35 72.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.72 -29.78 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.89 -50.5 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.247 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 87' ' ' GLY . 80.6 m -56.89 -42.14 79.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.133 177.649 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.67 -49.64 75.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.872 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -64.19 -28.13 69.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.392 -178.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mp -90.92 9.98 28.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.937 -178.441 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.77 42.35 8.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.845 0.831 . . . . 0.0 110.413 177.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.01 168.27 13.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.291 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 81' ' ' CYS . . . -75.55 -179.82 45.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.847 177.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.08 156.05 51.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.818 -175.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.81 120.49 3.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 113.383 -177.325 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 133' ' ' LEU . 72.4 mt -76.0 -54.03 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.832 177.326 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.8 m -143.03 159.82 41.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 -174.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 130' ' ' LEU . 46.1 tp -144.6 126.86 15.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.212 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.06 -148.16 12.39 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.278 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.2 123.22 7.61 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.285 1.99 . . . . 0.0 112.035 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 45.2 t80 -105.01 -53.73 2.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.353 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 97.4 mt -139.74 173.35 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.025 -179.687 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.0 86.98 2.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.842 0.83 . . . . 0.0 110.026 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.77 -23.23 63.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.23 -176.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 1.3 t80 57.69 35.23 25.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.87 170.848 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 m -110.95 96.58 30.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.766 -177.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 12.7 Cg_exo -70.7 67.89 2.26 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.459 2.772 . . . . 0.0 112.525 -178.56 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.421 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 63.1 tt0 -174.18 -50.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.559 177.22 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -70.4 -36.96 74.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.1 p -85.78 143.69 28.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 52' ' ' LEU . 29.8 pt -127.7 157.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.072 -177.803 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 59.4 mt -114.47 121.0 65.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.358 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 78.2 m -98.41 151.65 20.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.196 -176.172 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -126.31 160.25 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.17 -129.18 7.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.82 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -104.05 151.94 22.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.126 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.474 HD22 HH12 ' A' ' 66' ' ' ARG . 43.1 tp -56.34 104.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.35 0.406 . . . . 0.0 110.883 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.57 -5.76 26.29 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.785 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.7 t -101.19 118.78 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.151 0.5 . . . . 0.0 110.289 177.806 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 80.7 m-85 -105.72 28.26 7.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 27.8 m -57.8 -33.12 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -174.665 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -147.11 114.27 6.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.048 0.452 . . . . 0.0 109.962 176.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 56.6 m -120.07 151.18 39.41 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -116.04 143.61 45.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.042 0.448 . . . . 0.0 111.5 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 48.7 t-80 -61.61 119.93 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.756 176.719 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -97.41 109.91 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.958 0.408 . . . . 0.0 110.856 -176.444 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.53 -6.61 58.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.362 0.601 . . . . 0.0 109.574 173.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -63.49 125.64 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.515 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.26 -22.3 52.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.3 ttt -77.33 81.76 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.299 0.571 . . . . 0.0 109.532 174.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.7 t -141.29 135.68 30.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.717 -178.501 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -117.69 125.66 51.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.538 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.9 m -65.72 127.68 32.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.308 . . . . 0.0 110.66 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.98 128.57 36.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.957 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.26 132.03 8.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.028 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 92' ' ' LEU . 58.1 tp -109.81 127.38 54.63 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.9 m -105.69 91.29 3.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 -177.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 19.8 m -87.25 159.35 18.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.068 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.553 HD12 ' HG ' ' A' ' 90' ' ' LEU . 4.0 mp -69.27 85.86 0.4 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 8.4 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.301 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -114.25 163.85 14.69 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.978 -175.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -77.54 13.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.701 -176.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.79 -9.86 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.571 173.615 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.31 142.89 55.16 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.508 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.88 -24.66 24.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 123.232 2.621 . . . . 0.0 113.413 -172.353 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -109.16 16.99 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -75.34 123.69 25.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.188 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.87 119.98 37.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.631 -175.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.22 160.88 39.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 179.364 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.62 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -157.67 173.93 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.282 179.319 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.12 138.91 51.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -60.65 146.09 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.547 ' HG3' ' H ' ' A' ' 40' ' ' SER . 16.5 ptt85 -47.1 -59.81 2.89 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.45 0.469 . . . . 0.0 111.596 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.547 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 24.4 t 57.53 -100.7 0.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 176.064 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.73 -37.74 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.2 t -153.66 143.26 21.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.259 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.46 8.54 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -169.65 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 43.5 t -106.06 -8.36 17.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.33 0.586 . . . . 0.0 110.64 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.574 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.6 OUTLIER -148.89 96.84 2.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 0.0 110.05 179.129 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.34 -157.61 9.32 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.926 -175.483 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -80.81 139.09 36.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.38 120.3 24.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.963 0.411 . . . . 0.0 111.293 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.62 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 47.7 mt-10 -110.55 127.42 55.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.536 174.302 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 114' ' ' PHE . 30.6 m -119.53 152.0 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 179.062 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -93.09 112.43 24.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.881 -177.457 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -103.12 -172.89 2.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.347 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mptp? -59.17 -42.13 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 0.0 110.558 -179.201 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.12 -49.04 68.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.76 -152.12 22.96 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.841 -176.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.8 132.1 35.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 -177.576 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -136.39 148.49 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.392 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.1 mtp -79.9 132.47 36.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.221 179.026 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.37 128.67 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.935 0.398 . . . . 0.0 110.448 178.376 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.81 151.31 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 77.5 p -65.68 -26.74 67.91 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -169.658 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.89 10.69 3.91 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.035 0.384 . . . . 0.0 112.035 -176.411 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -66.48 137.11 56.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 62.19 10.83 4.01 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.939 178.333 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 28.99 23.65 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.264 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 61' ' ' SER . 41.9 mmt-85 -70.99 129.65 39.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.171 0.486 . . . . 0.0 109.994 173.292 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -105.3 -174.88 2.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.0 -178.089 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 t -76.97 48.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.44 0.638 . . . . 0.0 110.534 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -164.19 127.81 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.708 178.114 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.484 ' OE1' ' HA ' ' A' ' 91' ' ' SER . 9.7 tt0 -60.1 127.98 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.901 0.381 . . . . 0.0 110.822 -178.362 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -70.9 150.53 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.61 -15.33 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -169.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -129.4 94.18 33.6 Favored Pre-proline 0 C--N 1.326 -0.433 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.753 176.455 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -87.88 -5.74 6.83 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.942 2.428 . . . . 0.0 111.092 170.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.831 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 52.7 m -75.09 -8.9 57.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.178 -173.72 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.33 -27.22 45.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 177.047 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.47 25.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.576 -175.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.484 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 63.4 m -53.96 -39.41 65.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.535 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.633 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.36 -51.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.34 -34.6 78.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.636 -178.564 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -54.61 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.862 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -63.99 -22.12 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.499 -175.104 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -86.38 3.26 44.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.828 179.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t30 63.3 51.93 2.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.843 0.83 . . . . 0.0 110.207 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.9 m -121.55 -80.4 0.62 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.534 178.751 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.17 -132.22 2.75 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.256 -177.058 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.7 m-20 -79.12 151.72 75.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.529 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.831 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 9.7 Cg_endo -86.74 105.31 0.68 Allowed 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.162 2.575 . . . . 0.0 111.163 173.78 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.98 -46.04 22.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.229 -174.298 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.484 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 14.5 m -140.09 144.01 36.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.776 -175.434 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.589 ' HG ' HD13 ' A' ' 130' ' ' LEU . 2.5 tt -146.67 85.29 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.788 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.55 -165.01 15.68 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.465 -177.136 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.51 111.03 1.98 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.796 2.33 . . . . 0.0 111.863 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.902 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.4 t80 -98.74 -62.99 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.404 -174.748 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.631 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 92.3 mt -123.35 -174.14 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.779 -176.307 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.45 81.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -77.81 -34.17 52.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.472 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 50.21 61.81 3.0 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -115.61 87.03 16.49 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 171.074 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.79 55.66 3.34 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.649 2.899 . . . . 0.0 113.085 -172.842 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -147.08 -48.95 0.18 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.378 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m -90.32 -8.04 51.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.945 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.8 p -92.99 140.81 29.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -125.67 154.65 34.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 177.847 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.44 125.56 71.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.21 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.4 m -95.18 124.81 39.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -174.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.18 153.57 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.4 -149.49 16.94 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.971 -179.244 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -93.5 140.33 29.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.9 tp -51.34 120.62 5.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.173 -178.646 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.85 -12.14 41.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.101 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -101.01 113.75 27.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CE2' HG11 ' A' ' 50' ' ' VAL . 85.9 m-85 -101.02 40.0 1.33 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.05 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.5 p -52.19 -60.52 3.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.919 -174.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -146.9 84.27 1.6 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 45.4 m -77.6 132.86 38.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.55 177.53 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -99.87 157.97 16.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 111.008 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -60.38 128.74 38.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.531 177.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -65.67 118.23 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -123.81 68.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.61 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -127.93 152.17 48.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.935 -172.702 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.44 -36.77 45.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.991 175.628 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.5 ttp -135.22 125.13 25.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.11 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.3 t -168.03 137.61 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.733 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -107.41 166.74 10.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.687 -175.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 m -77.98 129.02 34.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.41 123.38 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.902 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -111.96 118.54 4.77 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.323 -176.88 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.589 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.1 tp -103.03 117.42 34.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.037 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.0 m -100.16 103.33 14.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 81.7 m -89.14 154.83 19.84 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.854 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.71 91.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 111.199 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.665 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 38.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.789 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 114' ' ' PHE . 94.3 mt . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.6 m -90.05 153.55 20.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.733 -175.694 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.492 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -78.18 35.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 111.195 178.356 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 27' ' ' SER . 31.8 m-85 -134.07 1.94 3.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.039 171.476 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 m-20 -88.77 139.04 29.33 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 17.3 Cg_exo -66.38 -26.14 48.42 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.421 2.747 . . . . 0.0 113.329 -171.786 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -92.79 -1.49 56.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.996 -177.452 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -82.02 128.65 34.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.058 -179.451 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -111.0 138.55 47.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -149.16 151.87 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 7.5 ptp180 -145.49 170.68 15.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.881 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.2 mt -111.14 143.35 42.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.605 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 p -63.49 161.03 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.358 0.412 . . . . 0.0 110.829 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -54.62 -61.89 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.746 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 t 53.17 -99.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 123.816 0.697 . . . . 0.0 111.014 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -126.49 -15.34 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.513 0.673 . . . . 0.0 109.749 177.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.655 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 40.7 t -167.68 139.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.22 -176.077 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 50.0 mtpt -68.45 -10.89 58.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.082 -179.188 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 12.8 t -98.92 5.0 47.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 111.022 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 1.6 pp0? -158.87 116.89 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.338 0.59 . . . . 0.0 110.809 177.325 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.83 -163.07 34.03 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.914 -177.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.98 142.94 41.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.1 tp -81.13 119.41 23.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 -176.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.711 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 44.5 mt-10 -111.59 126.2 54.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 172.782 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.15 150.96 13.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.162 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -89.21 107.98 19.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD11 HD13 ' A' ' 105' ' ' ILE . 93.4 mt -88.28 -173.8 4.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.31 176.647 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -61.78 -35.72 78.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.872 0.368 . . . . 0.0 111.095 -175.165 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -93.97 -32.2 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.401 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.09 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 119.718 -1.229 . . . . 0.0 113.531 -177.604 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.8 m95 -78.03 135.55 37.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.45 -176.478 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -141.25 142.95 33.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.698 176.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.711 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 55.8 mtm -77.92 141.55 38.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 -178.732 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.94 132.16 35.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 110.616 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.5 t -86.38 136.29 33.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.496 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 t -76.48 12.76 1.14 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -171.834 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -117.39 39.75 3.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.952 0.882 . . . . 0.0 109.491 176.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.7 m -99.08 162.05 13.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.217 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 60.9 -91.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.523 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.92 37.48 1.34 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 176.462 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -116.57 167.36 11.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 t -152.18 -154.83 0.56 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.1 m -78.34 58.27 2.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -135.25 159.27 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.404 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -129.26 133.01 47.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.188 0.518 . . . . 0.0 111.342 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -106.78 153.8 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.658 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -84.5 42.28 0.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.47 83.25 5.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -92.09 7.51 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.066 2.51 . . . . 0.0 111.722 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -59.89 -24.25 64.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.218 -173.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 12.4 mm100 -53.98 -27.25 30.34 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.9 35.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 111.699 -176.497 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -53.86 -55.45 26.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.567 -178.547 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -64.24 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -175.425 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.85 -59.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.819 -176.2 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.33 -39.33 90.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -67.62 -47.64 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.303 -175.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -73.52 -20.16 60.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 31.8 tp -67.81 -56.29 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 175.429 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 84' ' ' LEU . 9.6 t30 158.12 -33.37 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.092 0.87 . . . . 0.0 110.586 -175.067 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 133' ' ' LEU . 57.9 m -85.08 179.29 7.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.229 -169.43 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.06 -132.16 4.34 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.757 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.68 156.93 88.14 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.36 136.38 9.93 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.346 2.697 . . . . 0.0 112.341 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 133' ' ' LEU . 73.1 mt -91.44 -49.58 6.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.353 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p -143.0 145.35 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -178.116 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tt -141.85 131.97 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.91 -163.78 32.42 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.89 99.68 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.475 2.117 . . . . 0.0 111.632 177.345 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.868 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 59.9 t80 -86.63 -59.63 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.314 -177.146 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.6 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 82.8 mt -125.01 161.14 27.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.65 178.078 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -116.51 68.55 0.73 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.57 0.7 . . . . 0.0 110.447 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.5 m -66.62 -29.82 69.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.19 177.477 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.3 t80 48.65 62.15 2.71 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.743 0.652 . . . . 0.0 111.101 175.725 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 p -123.23 85.05 51.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.565 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 39.6 Cg_exo -58.08 -24.08 64.25 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.133 2.555 . . . . 0.0 112.514 -178.344 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.561 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 53.5 tt0 -67.11 -31.69 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.882 179.652 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -102.0 -33.7 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.593 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.7 p -87.2 156.21 19.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.483 0.658 . . . . 0.0 111.874 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 52' ' ' LEU . 36.2 pt -127.09 152.64 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.633 178.522 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.16 134.95 59.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.373 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -118.61 158.58 25.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -174.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -124.97 152.4 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.627 -177.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.7 -152.43 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.474 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -79.79 133.95 36.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.122 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.7 tp -52.49 100.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.522 0.514 . . . . 0.0 111.715 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 130.88 -20.68 4.78 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.0 t -107.45 115.62 30.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.893 0.378 . . . . 0.0 110.459 -178.494 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 91.3 m-85 -86.57 53.33 2.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.67 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.4 p -71.55 -31.54 67.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.779 -174.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -151.0 95.79 2.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.976 0.417 . . . . 0.0 110.451 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 2.9 m -115.25 162.01 17.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.975 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -147.96 165.72 29.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.561 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 57.8 t-80 -57.73 133.2 55.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.926 177.46 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 22.6 t -65.45 123.26 19.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.6 . . . . 0.0 111.1 -174.783 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -131.02 4.21 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.086 177.81 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -71.51 141.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.695 -172.141 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.71 -17.27 64.77 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.848 -176.292 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 mtt -132.25 119.05 20.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.309 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.0 t -143.84 112.34 6.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.201 0.524 . . . . 0.0 110.948 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -111.45 125.8 54.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.03 133.49 55.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.065 0.459 . . . . 0.0 111.647 -176.843 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 tt -77.71 130.18 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.139 -176.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.868 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.14 145.31 18.67 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.229 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.413 ' HB3' HD21 ' A' ' 37' ' ' LEU . 54.4 tp -131.38 136.34 47.96 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.615 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.0 m -121.73 113.77 20.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 176.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.2 m -103.21 159.78 15.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.701 -177.456 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 90' ' ' LEU . 38.5 mt -73.19 117.21 14.65 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.397 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.619 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.8 tt0 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 171.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.641 ' N ' ' HG ' ' A' ' 115' ' ' SER . 94.5 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.1 t -104.44 153.69 20.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -1.13 15.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.024 0.44 . . . . 0.0 110.302 175.536 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.64 -28.14 33.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.431 175.184 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.4 m-20 -60.59 134.44 91.73 Favored Pre-proline 0 C--O 1.231 0.092 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 11.3 Cg_exo -70.59 -24.31 26.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.069 2.513 . . . . 0.0 112.308 -175.683 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.21 -2.11 56.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -77.99 102.52 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.9 mm100 -85.3 131.38 34.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.783 -178.241 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.03 150.66 37.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.881 177.12 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 166.54 32.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.992 0.425 . . . . 0.0 110.205 -179.679 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 130' ' ' LEU . 46.4 mt -110.42 138.25 47.06 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.603 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -67.43 165.89 15.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.87 -73.11 0.09 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.138 0.273 . . . . 0.0 110.806 -174.083 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t 65.98 -74.6 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.499 0.5 . . . . 0.0 111.285 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -147.73 -32.52 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.445 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 50.2 m -145.58 145.9 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.698 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 2.6 mppt? -65.29 -20.27 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.902 -169.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 86.6 m -117.32 24.16 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 175.23 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 66.8 mt-30 -141.1 79.04 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.31 -152.49 6.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.281 -176.369 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.97 143.59 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.66 110.04 13.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.488 . . . . 0.0 110.416 -178.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -111.56 124.45 52.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.45 152.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.016 0.436 . . . . 0.0 111.005 -175.201 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.46 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 61.8 t80 -105.38 114.33 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.506 -178.086 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.57 -167.0 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 3.9 mptp? -57.15 -36.48 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 0.0 110.559 178.514 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -85.75 7.94 21.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.811 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.45 -154.64 20.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.382 173.417 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -81.78 122.04 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 111.071 -178.345 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -139.96 150.45 44.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.379 176.699 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.471 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.1 mtp -81.13 154.01 26.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.14 -178.722 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.5 t -101.69 129.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.27 141.92 30.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -67.85 -10.91 56.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.264 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.24 8.14 34.69 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.889 -0.507 . . . . 0.0 111.22 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.1 m -70.31 155.8 40.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 60.12 27.92 17.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.056 175.25 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.88 34.08 87.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.516 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -102.94 158.02 16.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.963 0.411 . . . . 0.0 110.549 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.436 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 2.2 p -101.31 155.97 17.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.457 176.678 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.9 m -79.82 76.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 111.874 -174.143 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HE3' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -154.31 169.86 22.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.812 175.177 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -59.29 118.14 5.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.887 0.375 . . . . 0.0 110.666 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -78.97 139.0 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.574 178.832 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.43 -9.73 54.92 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -130.02 77.96 75.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 110.672 -177.236 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 3.0 Cg_exo -75.32 -18.85 17.74 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 111.407 177.357 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -20.11 61.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.24 -178.115 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -56.07 -29.04 59.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.65 0.262 . . . . 0.0 111.499 176.933 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.75 22.2 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -173.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -57.02 -39.93 75.71 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.98 -31.41 72.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.321 -177.849 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.34 -51.2 71.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 22.4 m -63.75 -35.77 81.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.548 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.14 -45.53 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -74.65 -18.13 60.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.76 7.42 44.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 177.165 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.67 48.57 1.4 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.644 175.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.4 m -140.65 179.76 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 176.219 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -152.61 27.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.961 -173.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.7 t70 -64.41 145.79 98.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 123.399 0.679 . . . . 0.0 111.222 -175.751 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.0 Cg_exo -71.62 109.57 2.67 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.068 2.512 . . . . 0.0 112.092 177.685 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.17 -47.15 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.945 -178.025 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -141.28 158.9 43.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -175.151 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.9 tt -155.17 109.29 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -176.728 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.76 -149.54 10.52 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.79 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.68 87.34 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.342 2.028 . . . . 0.0 111.839 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.904 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 42.8 t80 -71.18 -46.37 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.655 -175.833 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.0 164.41 29.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.646 -176.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -120.49 82.93 1.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.294 0.569 . . . . 0.0 109.796 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -80.22 -24.92 39.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.063 -177.178 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.45 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 73.3 m-85 57.88 27.05 14.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.451 177.856 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 p -90.7 104.69 9.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 111.504 -178.678 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 122' ' ' ASN . 56.3 Cg_endo -72.06 -31.15 12.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.723 2.282 . . . . 0.0 112.941 -176.285 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.61 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 64.0 tt0 -82.8 -34.72 26.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.279 0.561 . . . . 0.0 110.571 -177.349 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 m -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.834 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -91.23 141.66 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.215 -174.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' MET . 21.4 pt -116.72 158.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.439 178.645 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -110.07 112.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.961 179.027 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -93.68 153.13 18.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.96 159.93 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.45 -177.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.33 -129.8 9.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.233 -178.253 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -120.12 146.36 46.03 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.0 tp -51.15 103.03 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.017 0.823 . . . . 0.0 111.242 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.72 -25.07 3.8 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.925 -178.112 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t -100.07 110.73 23.02 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.0 110.238 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -100.88 23.41 10.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.028 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 21.6 m -66.09 -21.07 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.293 -174.809 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -145.15 104.61 3.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.372 . . . . 0.0 110.775 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 51.9 m -127.1 148.58 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.013 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 m -127.36 143.92 51.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.9 0.381 . . . . 0.0 111.263 -177.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.61 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 46.6 t-80 -63.99 132.91 52.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.371 176.536 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 t -77.68 139.9 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -112.13 13.04 20.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.886 177.524 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' A' ' 101' ' ' PRO . 93.7 m-20 -115.22 130.06 56.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.201 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.22 29.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.51 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 122' ' ' ASN . 41.5 ttm -136.51 100.36 4.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.064 179.245 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.8 t -142.57 135.01 27.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.802 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.56 120.08 32.05 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 174.102 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.0 m -69.27 120.52 15.22 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 123.509 0.506 . . . . 0.0 110.538 -176.418 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.18 127.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.482 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.904 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -124.43 140.3 12.48 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -175.724 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.589 ' HB3' HD21 ' A' ' 37' ' ' LEU . 39.3 tp -118.8 118.17 30.85 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.268 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.9 m -97.18 93.45 6.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.175 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.6 m -91.16 142.66 27.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.692 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 112.01 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.918 0.39 . . . . 0.0 110.488 177.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.707 -177.972 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 m -114.75 151.55 33.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.09 21.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 112.009 -177.626 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -120.96 1.79 10.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 172.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.3 m-20 -83.78 137.38 41.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.203 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.8 Cg_exo -47.44 -47.59 17.37 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.343 2.695 . . . . 0.0 113.69 -171.242 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.82 26.05 8.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.932 -172.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.88 140.19 55.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.23 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 63.0 mt-30 -120.87 125.46 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.109 -175.137 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.86 151.55 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 -178.564 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -148.84 170.79 17.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.491 179.637 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.6 mt -115.82 144.0 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -58.98 162.15 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.051 -177.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -82.92 51.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 m -83.94 -73.95 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.264 -176.66 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -102.07 -64.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.527 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -149.77 -179.62 7.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 8.6 ptpp? -58.74 -38.41 78.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -169.761 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.747 ' HA ' HD12 ' A' ' 37' ' ' LEU . 72.4 m -112.49 28.27 8.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -176.625 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -145.5 90.14 1.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.15 -179.111 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.42 -162.75 29.11 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.064 -178.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 1.9 mp0 -78.87 148.53 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 110.406 -178.621 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.5 tp -87.24 120.01 28.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.79 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -114.57 123.13 48.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.565 174.178 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.24 149.63 13.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.116 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.4 t80 -81.55 92.75 6.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.698 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.798 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.8 tp -81.31 -167.92 1.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.794 -176.071 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.798 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 60.9 tttm -76.65 41.74 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.674 0.75 . . . . 0.0 110.816 -177.694 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -167.81 -48.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.844 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.89 -160.16 30.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.015 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m95 -72.07 121.12 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.1 -178.432 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -133.07 140.53 47.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.549 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.544 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 61.1 mtp -72.12 153.35 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 178.345 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.6 t -103.94 130.85 53.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.903 0.382 . . . . 0.0 111.18 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.0 t -83.84 144.2 29.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.505 ' HA ' HD12 ' A' ' 128' ' ' LEU . 66.9 p -68.68 -16.13 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.734 -174.834 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -82.93 12.76 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 110.687 -178.746 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.1 155.05 41.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -176.177 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.21 18.48 9.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.542 178.1 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.45 71.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.351 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -85.31 148.28 26.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.133 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 p -76.33 159.88 30.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -74.72 42.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.7 mptp? -120.31 130.47 54.46 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.895 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' H ' ' A' ' 92' ' ' LEU . 18.4 tm0? -78.59 120.45 23.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.076 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -94.14 128.4 40.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 51.2 mt-10 -78.54 44.15 0.51 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -171.239 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.59 67.73 80.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.541 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.5 Cg_endo -86.96 0.78 7.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.361 2.708 . . . . 0.0 112.583 -175.726 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -60.46 -15.64 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.01 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.38 -17.08 64.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 177.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.94 16.32 21.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.158 -178.17 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.664 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 35.9 p -57.38 -38.92 75.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.684 -177.231 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 67.7 mmtt -68.99 -23.99 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.671 -176.524 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.38 -45.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.33 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 176.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.3 -44.9 93.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.549 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.39 -25.81 67.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 177.024 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' SG ' ' A' ' 44' ' ' CYS . 8.3 tp -89.97 6.02 43.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.721 -178.773 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.4 t30 69.04 41.73 1.38 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.245 176.166 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 66.9 m -133.62 177.02 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.683 176.473 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.48 -148.34 14.03 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.84 -177.052 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.22 156.15 70.35 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.46 -178.175 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.664 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 11.5 Cg_endo -87.13 118.3 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.185 2.59 . . . . 0.0 112.063 178.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.0 mt -78.52 -46.85 18.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.769 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -135.84 143.77 45.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 -175.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 41.7 tp -146.12 115.9 7.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.131 176.806 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.06 -151.66 23.69 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.566 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.44 102.85 0.14 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.521 2.147 . . . . 0.0 111.984 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 56.1 t80 -97.98 -66.4 0.9 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.421 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 59.7 mt -124.6 -176.83 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.271 178.094 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 16.9 ptpt -128.95 75.54 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.061 0.458 . . . . 0.0 111.55 -174.396 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 m -75.82 -26.99 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 97' ' ' LYS . 30.6 m-85 43.61 67.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 175.363 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -134.65 95.45 15.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.197 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.36 10.42 0.57 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.758 2.972 . . . . 0.0 114.054 -173.177 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -126.47 3.54 6.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.228 0.537 . . . . 0.0 110.425 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -120.99 -29.23 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.443 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 7.3 m -102.02 130.91 48.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.935 178.121 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' MET . 33.1 pt -105.49 157.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 0.0 110.729 -178.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.0 tt -118.18 126.33 74.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 175.539 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.9 m -104.38 156.02 18.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 -176.762 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -125.39 149.86 47.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.415 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.99 -154.24 19.29 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.58 -176.511 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -87.38 150.48 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.5 113.24 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.918 179.452 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.66 -21.38 11.49 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.468 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -88.24 117.03 26.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.081 0.467 . . . . 0.0 111.022 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -106.71 28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -89.1 3.86 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.196 -174.512 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.8 94.09 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.242 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 20.3 m -136.29 149.61 48.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.013 0.435 . . . . 0.0 111.562 -175.335 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 m -142.3 151.29 41.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 175.646 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.66 131.21 45.79 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.03 179.021 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 123.58 19.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.365 -174.014 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 121' ' ' ARG . 21.4 ttt85 -103.97 58.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.776 0.798 . . . . 0.0 109.352 175.552 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -154.03 139.12 17.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.25 179.717 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -74.34 -29.82 61.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.624 -173.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.2 ptm -85.04 62.46 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -109.57 88.17 2.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.259 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.24 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.747 174.017 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -89.24 126.46 35.51 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.687 -176.017 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.9 tt -83.28 127.14 33.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.681 -177.702 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -128.84 167.75 20.86 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.551 -178.253 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 51.8 tp -125.05 127.87 47.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.838 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -110.93 99.93 8.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.6 m -97.99 156.36 16.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.411 0.148 . . . . 0.0 110.682 -177.572 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.18 97.62 0.19 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.079 0.466 . . . . 0.0 110.077 174.073 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.583 ' OE2' ' HG2' ' A' ' 43' ' ' LYS . 87.4 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.683 -177.551 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -127.44 159.45 34.46 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -75.66 14.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.539 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.472 ' HD1' ' HG3' ' A' ' 79' ' ' LYS . 48.6 m-85 -110.65 -6.32 14.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.439 174.402 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.9 m-20 -69.04 136.51 89.5 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.19 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 45.5 Cg_exo -58.15 -27.5 80.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.688 2.926 . . . . 0.0 113.829 -174.419 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -115.38 18.86 15.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.228 -177.809 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 63.6 t80 -60.28 128.02 34.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.038 0.447 . . . . 0.0 110.373 -179.272 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 46.3 mt-30 -103.32 109.89 21.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -174.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.3 151.92 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -150.29 147.82 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 71.6 mt -101.85 117.51 35.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 167.2 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -81.79 -96.22 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -168.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -115.28 -97.85 0.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.165 -169.721 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 p 46.8 -97.52 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.396 0.679 . . . . 0.0 112.098 -176.392 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.15 -51.87 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -170.03 172.46 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.25 -15.16 62.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -165.221 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 55.9 m -116.13 14.51 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 175.542 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 12.4 pm0 -150.09 83.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.654 0.74 . . . . 0.0 109.587 174.767 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.3 -156.62 8.37 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.724 -175.212 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -79.9 137.43 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.218 -178.178 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.57 109.95 11.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.34 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 48.8 mt-10 -112.62 127.32 56.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.699 175.469 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -124.31 154.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -175.429 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 11.3 t80 -93.41 91.08 6.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.848 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.97 -72.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.243 -173.575 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -149.65 -47.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -174.572 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.03 -27.04 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.696 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.55 -145.58 13.11 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.463 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -80.56 117.17 21.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.167 0.508 . . . . 0.0 110.321 176.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -126.25 139.05 53.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.68 -176.125 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 69.7 mtp -76.61 147.92 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.4 t -101.68 129.0 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.81 0.338 . . . . 0.0 110.433 178.592 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.33 132.83 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.697 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 1.1 p -74.49 2.32 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -175.677 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -86.12 5.3 34.47 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 172.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 14.2 t -68.77 150.52 47.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.553 -173.613 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 58.27 22.02 8.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.972 176.284 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 43.29 82.05 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.974 177.112 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 63' ' ' SER . 2.7 mmp_? -69.43 145.91 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 0.0 110.011 175.752 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -69.73 156.38 39.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.447 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -76.39 45.09 0.37 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.385 0.612 . . . . 0.0 110.807 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -150.12 162.34 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.82 122.42 16.88 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.249 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -73.62 142.48 46.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.276 -171.262 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -90.96 15.36 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.255 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.54 74.71 13.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.009 0.433 . . . . 0.0 110.121 177.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.98 -14.32 5.2 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.341 2.028 . . . . 0.0 112.745 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.9 p -66.18 -5.91 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.255 -174.76 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -62.39 -25.87 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.036 0.446 . . . . 0.0 110.11 175.175 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.22 21.2 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.282 -173.318 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.2 m -55.4 -32.75 62.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.728 0.299 . . . . 0.0 111.543 178.484 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.472 ' HG3' ' HD1' ' A' ' 29' ' ' TYR . 42.5 mmtm -66.03 -31.01 71.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.507 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.03 -50.56 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 109.874 177.847 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.28 -37.7 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.039 178.287 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.57 -39.19 87.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.044 179.037 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -68.9 -19.18 64.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.23 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' H ' ' A' ' 37' ' ' LEU . 10.4 mp -102.36 11.34 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 111.047 176.496 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 62.33 41.5 10.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.773 0.797 . . . . 0.0 111.286 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.4 m -122.63 165.12 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.418 171.136 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.63 -139.19 1.89 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.101 -173.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.06 151.88 64.31 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.032 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.572 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 66.3 Cg_endo -80.22 124.95 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.046 2.497 . . . . 0.0 112.566 178.904 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.42 -36.84 57.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 p -152.36 150.87 30.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -175.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -148.17 132.88 17.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.731 177.324 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.41 -159.46 29.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.426 179.294 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.67 79.96 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.064 2.509 . . . . 0.0 111.973 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 10.7 t80 -90.03 -34.78 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.488 -177.432 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 95' ' ' PHE . 4.4 mp -137.94 179.88 6.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 178.681 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.448 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 59.9 pttt -161.11 121.02 2.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 110.921 173.434 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.6 p -89.27 -14.67 35.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.286 0.565 . . . . 0.0 110.533 176.017 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 63.82 22.22 12.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.241 174.161 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.462 ' HB ' ' OG ' ' A' ' 103' ' ' SER . 19.1 m -101.53 108.12 54.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.106 0.479 . . . . 0.0 110.154 176.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.73 11.25 3.16 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.198 2.599 . . . . 0.0 114.413 -170.465 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -129.99 6.17 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 178.248 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.462 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 57.5 p -110.52 -9.93 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.4 0.619 . . . . 0.0 109.822 174.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 p -125.93 141.96 51.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.055 -176.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 pt -113.13 157.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.956 178.013 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -131.66 114.2 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.322 0.582 . . . . 0.0 110.063 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 28.4 m -86.54 153.82 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.604 -175.437 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.43 166.23 18.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.795 0.331 . . . . 0.0 111.151 -179.258 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.2 -117.67 4.6 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.624 174.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.05 125.41 29.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.363 -169.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.67 123.04 16.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.192 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.76 -12.59 53.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.793 177.145 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -78.54 92.97 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.888 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.22 64.39 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.712 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m -153.47 -54.74 0.11 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.83 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.31 61.86 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.556 0.693 . . . . 0.0 109.683 176.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 58.7 m -111.04 144.84 39.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.711 -177.276 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -108.26 160.07 16.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.731 -176.055 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -83.97 134.1 34.67 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.001 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -74.97 70.14 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.004 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -79.7 63.74 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.597 0.713 . . . . 0.0 109.566 176.292 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.61 137.28 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.459 179.185 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.21 48.17 1.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.129 0.49 . . . . 0.0 110.53 -177.552 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -149.3 29.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.452 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.48 143.14 27.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.212 0.53 . . . . 0.0 110.688 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.448 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 39.5 m80 -123.37 146.53 47.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.146 178.903 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 126.12 30.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.615 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.697 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -66.87 112.49 4.32 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.239 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' LEU . . . -95.49 128.6 9.58 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.534 178.567 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 92' ' ' LEU . 45.0 tp -121.7 113.91 20.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.4 m -100.58 104.18 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.611 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 24.5 m -101.28 142.09 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.751 0.31 . . . . 0.0 110.935 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.89 128.42 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.731 176.222 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.618 178.297 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.272 0.558 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -130.61 145.76 51.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.974 179.352 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.07 19.83 0.22 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -173.925 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -108.05 -2.84 19.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.12 0.486 . . . . 0.0 110.0 174.019 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -95.72 143.19 25.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 178.817 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.61 -6.54 17.04 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.799 2.332 . . . . 0.0 111.933 179.297 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -103.64 4.46 35.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.15 118.62 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.145 0.498 . . . . 0.0 110.46 -176.466 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.15 102.4 14.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.65 -176.087 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 161.96 36.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.522 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 4.7 ptp180 -154.77 174.94 14.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.194 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 44' ' ' CYS . 63.6 mt -111.35 128.75 56.06 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 170.334 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 49' ' ' GLU . 40.9 p -63.21 151.71 39.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 119.525 -0.274 . . . . 0.0 110.597 -176.215 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -46.86 -44.42 19.52 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.294 0.371 . . . . 0.0 111.509 -175.761 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t 43.2 -95.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.368 1.043 . . . . 0.0 112.535 171.298 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -114.76 -52.62 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.225 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 8.2 t -141.65 -176.55 4.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.015 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.34 -64.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -172.579 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.623 ' HA ' HD12 ' A' ' 37' ' ' LEU . 88.9 m -88.76 33.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 0.0 111.706 -174.272 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 10.6 pt20 -159.54 78.92 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.413 175.414 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.41 -171.06 20.92 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.574 -176.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.453 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.8 mp0 -73.83 133.27 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.523 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.21 111.15 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.175 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' HG23 ' A' ' 38' ' ' THR . 38.2 tt0 -111.88 127.05 55.72 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 52' ' ' LEU . 27.1 m -118.53 145.88 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.062 0.458 . . . . 0.0 111.005 -177.779 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -93.04 108.77 20.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.076 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 50' ' ' VAL . 5.6 mp -95.13 -172.44 2.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.674 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.54 -5.24 35.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.754 0.311 . . . . 0.0 111.639 -176.016 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.36 29.75 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 178.354 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.37 -172.67 14.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.73 -1.224 . . . . 0.0 113.763 173.857 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 93.1 m95 -91.77 136.73 32.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -176.254 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -140.93 142.7 34.37 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 104' ' ' SER . 43.1 mtm -82.14 148.37 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 110.418 177.083 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -91.34 138.15 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.585 -178.568 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.39 147.77 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.8 t -80.22 47.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.892 -178.288 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.114 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.4 m -141.71 154.98 45.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.549 -177.62 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 57.69 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.888 0.742 . . . . 0.0 110.977 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.08 31.43 1.96 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 176.71 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.44 119.32 37.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.321 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -78.09 170.36 16.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -80.7 49.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.35 0.595 . . . . 0.0 111.006 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -143.56 162.75 35.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.44 93.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.97 0.414 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.64 -179.719 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.29 35.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -167.625 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.04 86.59 4.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -87.61 -18.28 2.55 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.559 2.173 . . . . 0.0 113.452 -175.543 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.467 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.4 p -70.16 -3.68 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.64 -28.55 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.123 0.487 . . . . 0.0 110.33 174.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.11 24.95 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.847 -177.77 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.296 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.623 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.4 mtpt -62.5 -28.28 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.479 -176.052 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.1 -45.25 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.9 m -64.16 -32.96 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.335 177.682 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.93 -31.63 71.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 177.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 5.3 mmp_? -65.28 -33.25 75.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.468 177.877 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.2 2.11 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 63.09 47.24 4.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.563 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 58.1 m -123.43 170.24 10.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.178 175.126 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -72.3 -177.63 30.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.35 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.55 149.32 88.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.142 0.496 . . . . 0.0 111.348 -174.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 132' ' ' CYS . 31.9 Cg_endo -65.99 127.63 18.08 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.124 2.549 . . . . 0.0 113.209 -177.802 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.64 -34.23 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.988 178.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -143.59 135.57 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -177.061 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 130' ' ' LEU . 56.6 tp -133.65 91.93 2.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.9 -152.08 8.96 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.44 133.46 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 -178.739 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.736 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.5 t80 -118.5 -63.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -176.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 90.7 mt -130.85 152.1 50.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.645 -179.279 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -93.87 80.83 4.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.315 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.7 m -74.26 -36.94 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.151 -177.902 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.4 t80 57.02 79.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.692 . . . . 0.0 110.858 179.227 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.7 m -125.42 97.46 36.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 177.867 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.93 -43.56 35.07 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.189 3.259 . . . . 0.0 114.397 -170.554 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -87.65 -34.18 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.864 0.364 . . . . 0.0 111.325 -176.303 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 t -98.86 57.26 1.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.641 -178.084 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' MET . 17.5 p -154.59 124.56 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.002 172.758 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -129.87 153.58 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.236 0.541 . . . . 0.0 111.921 -175.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.23 118.58 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.461 172.347 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.9 t -110.58 159.06 17.89 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.313 -172.846 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.01 175.39 8.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.93 -176.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.63 -156.95 20.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.542 -179.422 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -67.63 137.84 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.759 177.371 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.69 106.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.708 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 121.36 -13.4 9.5 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.801 178.735 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -96.24 124.34 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.426 178.449 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.456 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.8 m-85 -106.53 36.19 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.282 0.563 . . . . 0.0 110.156 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 m -91.78 -10.61 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.287 -177.498 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -141.22 74.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.09 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 13.2 m -114.2 151.64 32.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -176.821 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -119.95 160.52 22.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.919 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -73.37 135.22 44.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.026 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -63.61 121.22 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.148 0.499 . . . . 0.0 111.785 -172.242 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 13.2 tpp85 -114.77 32.77 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.224 1.012 . . . . 0.0 108.671 174.528 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -115.92 122.43 45.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.959 -176.145 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.62 -35.82 52.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 111.409 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.54 28.23 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.113 177.668 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.24 82.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.556 179.37 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -73.48 111.2 8.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.783 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -54.71 139.56 38.68 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -173.646 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.1 tt -81.32 129.7 34.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.561 -173.771 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.736 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -120.62 129.42 7.86 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.666 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 92' ' ' LEU . 56.0 tp -97.97 113.23 25.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -98.13 101.85 13.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.382 -179.161 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.4 m -98.5 158.99 15.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.899 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.426 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 30.6 mt -64.93 91.16 0.09 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.079 174.191 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.591 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 42.3 tt0 . . . . . 0 C--O 1.252 1.217 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.139 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 29' ' ' TYR . 52.6 p -103.22 150.44 23.7 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.254 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.5 22.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.528 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 80.0 m-85 -110.33 -14.17 14.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.898 173.901 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -72.93 134.0 81.51 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.13 -13.87 34.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.827 2.351 . . . . 0.0 112.4 -177.183 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -106.11 14.69 27.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.826 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -79.97 120.91 24.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.395 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 17.0 mm-40 -89.82 107.16 18.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -175.685 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.79 154.75 35.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.018 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' HH11 ' A' ' 39' ' ' ARG . 6.5 ptm180 -155.39 167.29 30.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.74 177.251 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.6 mt -97.43 129.46 44.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.56 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.8 p -60.9 156.58 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.62 0.724 . . . . 0.0 111.764 -175.003 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -79.69 43.41 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.972 -176.959 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.48 -68.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.607 -176.725 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -116.53 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.363 -176.143 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 15.2 m -129.45 153.92 47.48 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -66.97 -10.84 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.169 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 1.043 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.0 t -132.37 28.37 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.474 0.654 . . . . 0.0 109.938 175.184 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HG3' ' HB2' ' A' ' 42' ' ' SER . 41.6 mt-30 -146.92 103.68 3.64 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.65 176.902 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -152.46 10.57 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.228 -178.492 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.8 143.74 30.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -74.7 101.9 4.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.104 0.478 . . . . 0.0 109.814 174.752 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -102.21 122.48 44.27 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.418 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.47 150.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -172.906 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t80 -107.52 106.24 16.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.477 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -101.31 -76.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.099 -178.294 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -126.58 -50.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -177.331 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -71.34 0.28 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.993 179.272 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . -166.12 -142.06 3.32 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.35 106.91 18.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.91 0.386 . . . . 0.0 110.349 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -118.61 151.76 37.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE1' HG21 ' A' ' 98' ' ' THR . 47.6 mtp -88.15 131.1 34.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.605 -176.576 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.81 129.47 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.859 0.362 . . . . 0.0 110.586 178.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.05 140.29 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.4 p -64.15 -18.69 64.69 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.437 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.14 44.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.401 0.62 . . . . 0.0 111.086 -178.598 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -99.37 159.45 15.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.77 175.734 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 57.94 30.62 19.42 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.853 0.461 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.27 11.83 64.98 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.87 179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.4 141.6 36.71 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.48 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 7.6 t -92.64 155.61 17.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.02 -178.681 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.2 m -71.2 76.37 0.7 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.736 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -146.08 170.94 15.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.752 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.18 111.96 20.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.48 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 77.5 m95 -91.57 128.11 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.846 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -96.08 54.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.595 0.712 . . . . 0.0 110.227 -175.229 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 5.2 t70 -146.8 58.63 4.5 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.4 173.72 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 2.8 Cg_exo -76.63 -7.29 17.6 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.982 2.455 . . . . 0.0 111.916 -175.833 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 p -59.3 -19.7 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.709 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -66.6 -17.66 64.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 177.399 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 19.08 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.872 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -57.48 -39.57 76.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 17.1 tppt? -53.06 -46.27 68.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.513 177.737 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.09 -48.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -177.571 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -61.14 -41.61 97.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.02 0.438 . . . . 0.0 110.687 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -69.53 -32.83 71.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.778 -177.83 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 6.2 mmp_? -65.96 -28.64 69.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.993 0.425 . . . . 0.0 110.615 176.861 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.439 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.84 13.1 15.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.969 177.51 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 63.08 35.74 12.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.7 0.762 . . . . 0.0 110.931 179.269 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.7 m -112.72 170.13 8.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.243 176.383 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -87.01 156.68 54.85 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.759 0.314 . . . . 0.0 110.692 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 7.6 Cg_exo -70.09 121.01 7.64 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.891 2.394 . . . . 0.0 112.116 179.226 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -81.2 -34.46 32.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.728 -178.852 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -165.46 149.73 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.923 HD12 HD13 ' A' ' 130' ' ' LEU . 9.7 tt -146.72 132.51 18.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.447 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.56 -160.4 29.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.366 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.37 111.79 3.33 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.869 2.38 . . . . 0.0 111.651 178.444 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.744 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 79.0 t80 -106.91 123.36 48.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -177.281 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.3 tp 70.42 154.98 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.822 0.82 . . . . 0.0 111.827 173.427 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HG2' ' HE1' ' A' ' 126' ' ' HIS . 94.4 mttt -96.82 79.88 2.98 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.513 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.408 HG21 ' HE1' ' A' ' 58' ' ' MET . 0.2 OUTLIER -67.3 -32.22 73.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.513 -171.412 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.603 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 25.9 m-85 62.81 13.71 6.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.81 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 125' ' ' CYS . 22.0 m -88.0 108.46 21.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.523 -174.615 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 94.7 Cg_endo -105.75 41.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.969 3.113 . . . . 0.0 111.595 173.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -139.16 -75.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.47 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -82.12 13.63 3.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.115 0.484 . . . . 0.0 111.406 -176.141 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.7 p -108.42 149.6 28.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.023 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.5 pt -128.95 145.46 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 0.0 111.6 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.8 120.08 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.758 173.213 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.8 m -97.42 141.94 29.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.93 0.395 . . . . 0.0 111.01 -178.277 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.45 168.48 10.34 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.86 -123.04 5.75 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.149 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.71 144.13 49.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -177.057 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.61 116.89 2.52 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.486 0.491 . . . . 0.0 111.629 -178.03 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.44 46.37 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.158 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -103.55 116.86 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.199 0.523 . . . . 0.0 111.312 -177.848 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -97.38 48.24 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 p -66.41 -52.32 47.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.488 -176.56 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -139.55 111.22 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.947 0.403 . . . . 0.0 110.291 178.645 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 62.4 m -111.24 159.41 17.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.954 178.312 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 p -137.61 154.78 49.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.712 0.292 . . . . 0.0 110.99 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -51.2 128.96 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.75 177.832 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.4 t -67.98 97.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -177.082 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -93.51 79.72 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 178.927 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -142.34 168.32 20.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 177.718 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.18 -45.18 57.9 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 0.0 110.517 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.1 ptm -143.58 99.64 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.283 0.563 . . . . 0.0 110.773 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' THR . 5.6 t -77.2 141.34 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.007 178.482 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.614 ' HE1' ' HG2' ' A' ' 97' ' ' LYS . 84.0 m-70 -103.23 122.22 44.31 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 171.48 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 p -70.54 138.2 50.76 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.043 -179.259 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.9 tp -69.26 114.17 7.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -98.86 126.82 9.04 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.905 -178.076 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.923 HD13 HD12 ' A' ' 92' ' ' LEU . 60.7 tp -119.61 124.72 47.01 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.2 m -112.69 108.76 17.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.059 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 40.0 m -104.3 153.19 21.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.694 0.283 . . . . 0.0 110.389 -178.302 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.43 98.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.639 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 1.043 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 43.5 mt-10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.896 -176.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 23.9 m -85.37 142.11 29.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.315 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.44 22.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.21 0.529 . . . . 0.0 111.878 -178.514 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' H ' ' C ' ' A' ' 27' ' ' SER . 61.9 m-85 -108.79 -19.11 13.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 172.457 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.22 151.71 85.87 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.358 -172.715 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.64 -51.93 7.21 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.814 2.343 . . . . 0.0 112.916 -176.491 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.2 17.87 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.115 -172.795 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 81.1 t80 -86.56 122.19 30.15 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.037 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -114.81 137.58 51.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.113 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.55 150.69 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.165 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.41 142.27 47.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.196 0.522 . . . . 0.0 110.674 -177.926 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 78.6 mt -101.48 125.88 48.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.0 p -62.9 156.25 24.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.464 -176.01 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -73.13 56.05 0.44 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.211 0.529 . . . . 0.0 111.548 179.863 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -62.11 -55.4 29.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 177.538 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -145.38 -81.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.969 175.199 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -97.3 155.61 16.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 173.018 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -95.42 26.31 3.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -170.597 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 91.5 m -120.53 15.95 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 167.31 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -156.13 146.95 22.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.617 179.198 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 95' ' ' PHE . . . 142.22 -169.87 25.23 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.253 176.89 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -61.77 137.87 58.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.461 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.9 tp -96.7 116.87 29.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -176.019 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -112.97 135.25 53.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.365 171.568 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.86 153.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.959 -177.327 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -86.59 102.1 13.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.088 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD13 ' A' ' 105' ' ' ILE . 79.1 mt -89.42 -177.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.131 178.132 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 35.6 ttpt -56.93 -38.19 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.958 0.409 . . . . 0.0 110.984 178.62 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -99.07 5.48 46.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.836 -175.598 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.18 -167.63 14.74 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.242 -0.98 . . . . 0.0 113.624 176.027 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.7 m95 -73.83 134.3 43.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.764 0.316 . . . . 0.0 111.557 -175.268 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -146.52 155.86 42.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' HG12 ' A' ' 105' ' ' ILE . 81.6 mtp -87.51 139.34 30.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.283 -174.73 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 134.57 29.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.556 179.192 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.805 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 84.2 m -97.48 149.68 21.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.178 177.075 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.676 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.7 m -79.02 44.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 178.373 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -145.14 35.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.418 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -112.64 149.52 32.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.51 -172.153 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.77 20.76 9.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.309 0.644 . . . . 0.0 112.734 176.028 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.93 -2.9 82.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.34 -178.587 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 71' ' ' TRP . 6.8 mmm180 -73.76 116.28 14.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.82 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 71' ' ' TRP . 10.1 t -73.96 173.27 10.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.265 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 p -73.77 68.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 111.969 -173.399 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -167.4 166.94 14.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -78.94 133.52 36.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.304 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 87.0 m95 -110.3 172.45 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 -178.068 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -82.39 -3.9 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -164.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t0 -124.22 90.1 51.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.345 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -97.63 -11.9 0.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.072 2.515 . . . . 0.0 113.307 177.14 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 p -76.19 -7.34 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.703 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 83.7 mm-40 -58.93 -24.81 62.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.874 0.368 . . . . 0.0 111.503 177.32 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.18 26.15 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.636 -174.803 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -57.61 -43.87 85.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.646 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.17 -31.76 71.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.775 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.11 -55.59 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.141 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.3 m -59.72 -41.57 91.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.512 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.55 -42.39 99.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.873 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -33.48 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.292 -179.166 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -85.44 8.11 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.069 178.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 63.63 37.72 10.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 177.524 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.5 m -114.76 173.27 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.852 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.19 -163.6 38.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.77 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 3.6 m-20 -58.41 152.37 44.31 Favored Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 122.831 0.452 . . . . 0.0 111.709 -177.282 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.5 Cg_endo -77.93 115.17 3.75 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.957 2.438 . . . . 0.0 111.874 178.599 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 133' ' ' LEU . 2.1 tt -80.62 -43.29 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.925 -178.075 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.1 m -147.27 142.99 27.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.286 -175.809 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 130' ' ' LEU . 33.5 tp -136.96 100.86 4.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.194 176.693 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -172.58 -157.29 14.04 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.643 -176.071 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.74 128.07 20.16 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.5 2.133 . . . . 0.0 112.164 -179.572 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE2' ' HA2' ' A' ' 46' ' ' GLY . 42.1 t80 -132.13 98.37 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.629 179.507 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.8 mt 72.68 149.04 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.014 0.822 . . . . 0.0 111.402 -179.539 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 77.85 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.857 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.4 m -70.87 -28.59 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -177.009 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 55.49 79.8 0.15 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.037 0.446 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m -138.18 79.51 31.41 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.101 177.552 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.58 62.62 7.15 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.434 2.756 . . . . 0.0 112.572 -175.324 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -154.98 -56.48 0.1 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.249 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 t -85.07 -5.2 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.219 0.533 . . . . 0.0 110.002 178.387 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.805 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 33.9 p -82.45 136.85 34.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -178.279 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.843 HD13 HD11 ' A' ' 52' ' ' LEU . 47.0 pt -125.94 152.65 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.382 0.611 . . . . 0.0 111.542 -178.412 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.2 121.85 63.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.186 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -108.64 151.87 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.287 -172.882 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.89 147.88 50.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.671 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.05 -124.1 3.66 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.097 -177.751 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -101.54 134.81 44.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.543 -178.213 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.52 109.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -178.88 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.39 -7.18 26.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.5 t -115.92 119.43 35.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.168 0.509 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.86 62.2 6.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.657 0.741 . . . . 0.0 109.469 177.266 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m -81.97 -67.82 0.75 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.242 -176.89 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -112.83 84.69 2.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.293 0.568 . . . . 0.0 109.654 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.6 m -101.43 144.95 29.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.414 -178.016 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -110.06 145.98 36.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -81.74 123.24 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.318 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.6 t -99.42 128.57 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 111.956 -170.119 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -110.74 42.06 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 124' ' ' MET . 50.6 m-80 -121.45 142.29 50.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -178.524 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.32 -13.19 59.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.426 179.263 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.495 ' HG2' ' HB3' ' A' ' 122' ' ' ASN . 26.9 ptm -83.02 14.17 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.172 0.51 . . . . 0.0 110.604 178.297 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 80.61 9.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.169 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -58.46 129.17 40.79 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.909 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.4 m -68.24 127.1 31.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.549 -178.646 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.3 tt -94.8 136.91 34.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.078 -178.082 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -133.82 153.33 20.83 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.337 -179.261 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 92' ' ' LEU . 60.0 tp -114.77 134.43 55.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.4 m -113.1 98.7 7.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.658 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 21.6 m -92.9 141.78 28.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.251 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 90' ' ' LEU . 87.0 mt -67.33 147.4 53.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.402 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.435 174.952 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 114' ' ' PHE . 2.8 tt . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.1 p -111.48 165.42 12.0 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 -177.939 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.05 25.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.824 178.189 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.2 m-85 -130.4 25.86 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.739 172.699 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.78 149.32 36.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.908 174.858 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.09 -8.73 22.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 123.28 2.653 . . . . 0.0 113.325 -173.097 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -113.88 10.21 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 179.089 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -78.58 129.93 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.375 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -127.63 132.52 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.077 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.32 156.15 44.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.83 157.21 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.123 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 44' ' ' CYS . 83.5 mt -105.86 144.28 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.027 178.742 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -78.84 171.33 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.729 -172.84 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -73.04 56.84 0.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.226 177.178 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -78.11 -56.37 4.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.98 -178.802 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -155.93 -44.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.296 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.706 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 3.4 mmmp? -73.1 -20.52 60.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -164.716 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 1.038 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.1 t -122.53 30.54 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.367 0.603 . . . . 0.0 111.145 -177.859 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.61 115.92 3.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 175.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -155.26 25.76 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.562 179.172 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.79 136.87 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -178.575 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.9 tp -86.52 112.09 21.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -104.68 132.7 50.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.016 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG23 ' HG ' ' A' ' 52' ' ' LEU . 27.6 m -119.18 150.1 21.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -178.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -89.47 106.85 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.15 178.752 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' HG23 ' A' ' 50' ' ' VAL . 88.7 mt -125.8 -158.36 0.84 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.075 -179.528 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.21 -30.81 66.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.247 0.546 . . . . 0.0 110.961 -178.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.46 22.11 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.253 -178.094 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.89 -143.39 29.91 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.878 -179.348 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.8 m95 -82.03 117.65 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.86 149.57 49.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.134 0.493 . . . . 0.0 111.361 -177.954 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 mtp -80.24 124.75 29.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.665 -176.713 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.9 126.07 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 0.0 110.204 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -85.34 135.8 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.681 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.428 ' HA ' HD13 ' A' ' 128' ' ' LEU . 16.9 m -59.59 -20.7 57.65 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -171.627 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -88.02 48.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 110.377 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.4 m -108.65 160.35 16.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.38 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 56.97 -96.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.807 178.061 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.6 36.62 1.25 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.539 HH21 HD21 ' A' ' 111' ' ' LEU . 21.2 mmt180 -85.8 132.87 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 110.198 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -76.83 160.69 29.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.866 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 61.55 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.067 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -157.12 151.78 25.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 -176.147 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.11 84.95 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.484 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.96 138.89 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 38.4 mt-10 -83.97 68.87 10.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.36 0.6 . . . . 0.0 111.775 -175.838 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 29.7 t70 -129.78 58.95 41.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.916 168.742 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.535 ' HD3' ' C ' ' A' ' 72' ' ' GLU . 61.0 Cg_endo -96.2 -16.53 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.892 2.395 . . . . 0.0 113.64 -173.133 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.453 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.9 m -65.53 -5.3 7.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.339 -175.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.9 -23.77 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 176.267 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.47 22.82 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -176.358 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.7 m -58.5 -41.69 85.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.807 -178.341 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.93 -30.35 70.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.607 0.242 . . . . 0.0 110.93 -177.366 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.2 -53.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.644 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 12.7 m -59.52 -39.4 83.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.178 178.555 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.85 -39.64 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.229 -178.457 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -73.25 -21.44 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.58 179.471 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.35 9.42 26.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.586 174.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 65.19 41.27 4.55 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.11 177.81 4.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.052 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.9 -141.09 9.14 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.856 176.229 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.82 150.07 81.1 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.023 0.439 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 55.7 Cg_endo -78.2 116.0 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.019 2.479 . . . . 0.0 111.653 175.48 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.5 -48.54 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.069 -175.289 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 5.6 p -135.69 146.1 47.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.024 -175.872 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 128' ' ' LEU . 5.3 tt -151.1 95.35 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 -161.07 29.55 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.083 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.53 114.05 1.7 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.681 2.254 . . . . 0.0 111.683 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.693 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 15.2 t80 -118.81 -43.79 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.889 -174.173 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.597 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -133.58 145.17 49.82 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -172.294 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.9 mttt -91.15 77.77 5.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.737 175.106 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 p -82.65 -48.72 10.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.88 -175.736 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 71.3 m-85 54.47 57.1 6.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.565 0.541 . . . . 0.0 110.853 -178.02 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 84.16 8.6 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.127 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 4.6 Cg_exo -79.84 37.58 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.45 2.767 . . . . 0.0 113.461 -172.144 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -120.78 -48.09 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.074 0.464 . . . . 0.0 110.501 176.577 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -105.78 7.27 32.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.725 -176.605 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.9 p -94.88 142.56 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -132.46 149.3 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.92 118.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 173.477 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -105.0 157.35 17.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.754 -170.823 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -130.83 168.01 17.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.304 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 118.34 -151.18 17.95 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 144.97 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.397 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD21 HH21 ' A' ' 66' ' ' ARG . 6.1 tt -59.51 102.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 110.2 -178.485 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.64 -10.78 12.45 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -100.07 120.91 40.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.354 -179.116 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.611 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 98.7 m-85 -96.46 41.13 1.11 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.105 -179.9 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.0 t -63.44 -52.03 63.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.891 -176.263 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -132.38 104.6 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -110.79 140.32 45.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.784 177.208 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 t -110.37 156.45 20.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.028 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -66.88 130.95 44.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.686 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 t -61.68 121.27 12.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.49 0.494 . . . . 0.0 111.064 -172.933 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -137.1 68.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 -177.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -137.9 164.86 27.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.559 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.08 -51.03 71.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.604 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.7 ptp -117.65 141.21 48.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.917 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 45.6 t -138.58 115.14 10.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.848 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -103.43 130.31 50.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.08 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 61.6 m -64.0 133.44 53.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.109 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 61' ' ' SER . 26.2 tp -66.04 107.51 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.48 178.022 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -88.69 122.25 6.31 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.352 -176.681 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 tp -110.37 118.78 37.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.5 m -117.29 110.78 18.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.662 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.694 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 7.2 m -109.77 147.82 32.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.058 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.26 115.28 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.325 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 1.038 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 40.5 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.235 -176.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 20.0 m -129.61 153.54 47.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.391 176.322 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -74.62 28.49 0.08 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.493 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' H ' ' C ' ' A' ' 27' ' ' SER . 81.5 m-85 -123.86 -12.03 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 173.374 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.5 143.5 97.13 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.193 -175.203 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.63 -51.41 10.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.013 2.475 . . . . 0.0 112.342 -176.636 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -97.58 32.45 2.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.639 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 67.7 t80 -74.37 101.72 4.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.663 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -86.24 114.66 23.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.789 -176.036 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.64 159.37 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 49' ' ' GLU . 2.1 ptp180 -154.16 176.3 12.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.099 -179.001 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.1 mt -109.64 121.29 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 167.639 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 22.7 p -45.17 -87.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -169.902 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -148.39 -76.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.156 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.5 m 67.73 -81.31 0.03 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.489 171.091 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -172.12 -48.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 111.446 -173.253 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 31.7 m -101.46 158.19 16.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.798 -178.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -75.02 -38.18 61.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.42 -175.475 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 74.0 m -117.26 16.82 14.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.045 0.45 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 13.1 mt-30 -138.64 100.35 4.05 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.678 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.3 -171.53 38.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.983 -1.103 . . . . 0.0 113.031 -176.238 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.53 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 15.4 mt-30 -67.75 131.67 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.391 0.277 . . . . 0.0 110.926 -179.783 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.33 129.62 36.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.925 0.393 . . . . 0.0 110.735 178.761 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 36' ' ' ARG . 37.6 tt0 -128.58 130.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.57 154.62 29.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.338 . . . . 0.0 110.973 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -97.45 95.9 7.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.782 -179.238 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD11 HD13 ' A' ' 105' ' ' ILE . 84.2 mt -80.78 -174.13 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.491 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.95 -37.16 83.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.06 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.92 -33.44 75.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 176.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 -167.49 23.75 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.298 -177.537 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.19 124.28 20.45 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 122.365 0.266 . . . . 0.0 110.982 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -140.77 149.01 41.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.822 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 72.0 mtp -79.22 141.61 36.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.638 -177.799 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.34 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.091 177.337 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.3 t -103.17 149.94 24.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 -177.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.0 p -60.45 -23.4 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -170.431 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -77.51 8.82 3.83 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -175.723 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -76.58 147.92 37.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 -178.117 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 59.51 21.67 10.19 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.566 0.746 . . . . 0.0 112.291 174.898 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.76 21.47 79.67 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.471 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.98 146.65 45.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.674 178.128 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 p -90.45 153.02 20.7 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.791 174.646 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.5 m -79.32 43.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.337 0.589 . . . . 0.0 111.129 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -143.86 161.87 37.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.211 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -78.44 97.61 5.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.862 0.363 . . . . 0.0 110.981 -174.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -81.55 173.44 12.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.72 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.64 35.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.538 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 38.0 t70 -152.26 62.43 4.57 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 121.369 0.604 . . . . 0.0 110.162 177.843 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HB2' ' H ' ' A' ' 92' ' ' LEU . 43.3 Cg_endo -103.57 16.38 0.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.044 2.496 . . . . 0.0 113.583 -176.161 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.636 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 46.3 m -117.28 16.03 14.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.838 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -89.01 69.97 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.733 177.172 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 29.49 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.524 178.527 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 m -58.29 -45.92 87.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.085 -175.646 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.612 ' HE3' ' HG3' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -54.61 -37.62 65.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.344 179.405 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.22 -52.77 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.846 0.355 . . . . 0.0 110.11 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.98 -42.24 93.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.194 179.049 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -66.3 -39.78 89.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.561 0.22 . . . . 0.0 111.293 -175.875 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.612 ' HG3' ' HE3' ' A' ' 79' ' ' LYS . 25.1 mmt180 -71.47 -12.41 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.827 0.346 . . . . 0.0 111.388 -179.867 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.39 6.24 47.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.991 0.424 . . . . 0.0 110.329 173.225 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.52 49.61 10.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.344 -176.229 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.59 168.77 13.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.986 -179.213 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.38 -175.91 49.48 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.762 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.57 156.58 42.5 Favored Pre-proline 0 C--N 1.327 -0.393 0 C-N-CA 122.513 0.325 . . . . 0.0 110.975 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 3.5 Cg_exo -73.71 110.07 2.99 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.781 2.321 . . . . 0.0 112.113 -179.734 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.29 -43.67 66.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.021 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -152.2 137.96 17.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.639 -177.122 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 130' ' ' LEU . 55.3 tp -131.49 103.29 6.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 174.672 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.05 -161.31 23.87 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.989 -176.496 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.91 100.12 0.35 Allowed 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 111.823 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.795 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.1 t80 -92.44 -39.26 11.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 -177.588 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.591 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 95.7 mt -137.57 150.05 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.418 -177.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -103.99 57.02 0.72 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.205 0.526 . . . . 0.0 109.909 176.532 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -64.09 -23.94 67.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.547 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 49.47 55.64 9.05 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 111.576 171.438 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -120.88 79.87 32.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.106 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.51 33.56 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.415 2.743 . . . . 0.0 112.813 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -113.98 -48.84 2.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.27 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 m -98.87 1.41 45.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.649 -177.178 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 p -98.17 153.04 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.572 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 52' ' ' LEU . 31.9 pt -125.52 149.18 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 120' ' ' SER . 95.7 mt -124.41 112.89 34.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.396 177.174 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 64.0 m -87.99 114.86 25.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.031 0.443 . . . . 0.0 111.289 -176.713 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.01 91.95 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.67 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.78 -152.29 10.0 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.957 -178.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.68 138.07 58.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.699 0.294 . . . . 0.0 110.68 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.22 107.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.867 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 113.91 -15.14 21.48 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.097 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -93.88 129.53 40.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.397 0.618 . . . . 0.0 111.265 -179.767 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -106.72 44.88 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.593 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.3 t -91.69 -56.55 3.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.927 -176.196 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.26 75.98 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.056 -178.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.6 m -111.41 107.73 17.06 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.225 0.536 . . . . 0.0 110.736 -178.78 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -88.49 151.07 22.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.532 -179.737 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -73.91 68.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.068 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 106' ' ' ILE . 8.7 t 56.88 82.52 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.747 173.418 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 121' ' ' ARG . 15.9 mmt85 -114.03 59.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.439 0.638 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.71 171.03 14.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.626 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.29 -58.47 7.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.171 178.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.3 ptp -99.26 163.79 12.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.743 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 39.0 t -157.57 110.12 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.521 175.414 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -106.35 139.36 40.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.595 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 m -67.15 117.18 8.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 -179.044 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.4 tp -71.76 109.37 5.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.832 -179.248 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.795 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -97.89 126.79 9.0 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.996 -178.863 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 92' ' ' LEU . 53.0 tp -100.27 114.32 27.7 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.513 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.4 m -99.96 90.35 4.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.42 -178.633 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 26.3 m -80.86 137.41 36.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.666 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.21 102.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.034 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 44' ' ' CYS . 35.0 mt-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.037 168.327 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.225 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 19.3 m -92.95 149.74 21.04 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.432 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.25 20.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.23 0.538 . . . . 0.0 111.252 -179.101 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' A' ' 27' ' ' SER . 56.6 m-85 -106.34 -13.68 15.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.479 173.547 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.02 134.99 80.49 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.517 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.28 -15.04 35.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 123.103 2.535 . . . . 0.0 112.879 -175.835 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.14 4.53 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.095 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -76.3 143.47 40.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 49.7 mt-30 -120.79 133.24 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.916 -176.112 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.497 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.54 153.11 32.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.479 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -140.13 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.4 mt -112.22 127.2 55.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 172.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 37.6 p -69.83 168.22 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -176.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.841 ' HD2' ' H ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -47.76 -68.31 0.2 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.842 0.714 . . . . 0.0 110.793 -176.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m 48.35 -99.03 0.05 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.813 0.696 . . . . 0.0 112.021 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -106.97 -53.72 2.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 69.0 m -139.67 159.74 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.456 -179.735 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -69.88 -2.25 11.79 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.364 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.4 t -137.95 24.01 2.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.822 0.82 . . . . 0.0 109.229 174.764 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 68.3 mt-30 -145.89 89.45 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.666 178.438 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.65 -163.79 30.48 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.387 -176.467 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.554 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 22.4 mt-30 -61.16 136.49 58.08 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.76 0.329 . . . . 0.0 110.979 -179.81 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.89 119.73 30.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.963 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -113.26 129.4 56.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.514 171.267 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.79 151.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.448 -179.316 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 71.3 t80 -92.61 109.95 21.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.374 -178.726 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.4 mt -104.74 -173.77 2.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.727 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 4.4 tmmm? -56.86 -37.36 71.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 109.814 174.41 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.18 9.91 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.732 -179.272 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.29 -154.15 21.33 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.676 177.936 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.1 m95 -80.67 128.9 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.896 0.379 . . . . 0.0 111.262 -175.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -135.16 137.63 42.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.98 128.65 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.798 176.592 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.27 133.78 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.269 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.25 146.42 25.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD13 ' A' ' 128' ' ' LEU . 87.8 p -63.21 -26.47 68.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -170.199 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.48 41.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.738 -174.553 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -101.61 141.99 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.042 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 60.48 -88.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.047 177.875 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.44 34.97 1.36 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.051 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.027 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 p -129.9 -155.79 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 -174.443 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.6 t -84.59 -12.92 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -101.98 125.79 48.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -63.57 137.51 58.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.394 -176.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -87.58 163.36 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.17 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -86.39 12.23 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.287 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -152.02 111.7 2.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.42 . . . . 0.0 111.431 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 68.3 Cg_endo -100.81 13.8 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.696 2.931 . . . . 0.0 112.43 175.013 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -81.76 33.88 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.366 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -112.6 -5.02 14.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 110.588 177.709 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.49 17.9 17.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 111.06 -177.689 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -55.72 -37.35 68.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.624 -178.75 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -64.26 -31.81 73.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.998 -179.181 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.08 -45.74 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.073 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.6 m -59.66 -40.52 87.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.118 175.368 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.264 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -65.19 -24.23 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.684 0.278 . . . . 0.0 111.552 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.68 4.86 53.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.939 0.4 . . . . 0.0 110.766 176.574 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 61.22 47.3 7.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.897 0.856 . . . . 0.0 110.32 179.734 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.9 m -117.45 -179.23 3.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.1 -139.47 5.31 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.424 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.39 151.89 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 55.6 Cg_endo -77.24 108.76 2.68 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.778 2.319 . . . . 0.0 111.709 174.106 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -77.9 -28.35 49.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.327 -177.946 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.3 m -149.51 147.29 28.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -177.215 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.652 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.9 tt -152.43 90.98 1.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -178.697 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.28 -155.44 15.94 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.755 -177.78 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.03 112.75 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.578 2.186 . . . . 0.0 111.879 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.848 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 52.3 t80 -106.94 -41.74 5.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.569 -179.252 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.606 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.0 mt -133.54 165.61 24.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 0.0 111.149 -177.132 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -118.61 43.84 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.668 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 m -68.92 -44.26 73.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -175.76 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 10.7 m-85 59.22 81.61 0.16 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 111.388 -179.36 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 m -106.65 88.26 3.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.918 176.472 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 86.1 Cg_endo -77.98 51.5 3.66 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.975 2.45 . . . . 0.0 113.055 -172.457 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.663 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 63.4 tp60 -160.83 -43.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.171 177.245 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -90.48 -26.1 19.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -178.113 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -79.54 143.76 34.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.062 0.458 . . . . 0.0 110.635 -176.581 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.9 pt -124.02 151.13 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.7 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.34 124.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.236 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 60.7 m -99.66 145.86 27.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 -177.503 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -122.44 168.52 12.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 -176.315 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.12 -118.96 4.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.655 172.271 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.7 122.0 26.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.974 0.416 . . . . 0.0 111.944 -172.549 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.78 124.87 19.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.382 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -7.07 67.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 177.416 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.7 t -106.42 123.88 48.75 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.608 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -98.5 23.44 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.438 177.11 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -69.16 -24.06 64.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.633 -177.438 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -139.93 88.15 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 110.02 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 59.3 m -119.45 148.96 42.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.649 179.249 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.1 m -132.5 167.99 18.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.829 0.347 . . . . 0.0 111.043 -176.55 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.663 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 14.4 t-80 -62.69 131.02 47.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.014 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -63.91 104.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.867 -174.825 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -138.68 60.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.282 174.916 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -109.99 -176.78 3.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.126 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -59.85 -60.16 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.961 0.41 . . . . 0.0 111.041 -177.687 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.0 ptp -148.1 156.71 42.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.235 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -169.92 143.66 2.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 -174.66 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -116.66 164.68 14.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -174.701 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 9.5 m -66.47 122.45 17.58 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.347 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' SER . 22.1 tp -74.18 122.7 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.189 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.848 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.92 130.74 9.09 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.445 -178.09 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.652 HD13 ' HG ' ' A' ' 92' ' ' LEU . 51.5 tp -107.66 125.04 50.86 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.617 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -107.63 95.61 5.82 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -177.723 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 36.7 m -98.82 137.47 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.874 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 90' ' ' LEU . 16.7 mt -61.3 117.5 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.822 179.046 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.455 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 43.2 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.581 170.777 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.705 ' N ' ' HG ' ' A' ' 115' ' ' SER . 95.8 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 40.9 m -143.64 156.94 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.173 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' HB2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -77.46 34.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 0.0 111.747 -179.702 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.9 m-85 -134.0 -2.93 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.676 173.632 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.6 138.16 58.74 Favored Pre-proline 0 C--O 1.232 0.169 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.027 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.01 -18.28 51.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.145 2.563 . . . . 0.0 113.167 -174.74 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -105.73 5.48 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -69.98 129.86 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.75 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.617 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.3 mt-30 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.494 -179.406 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 156.45 43.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 178.483 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HD2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -149.44 161.71 41.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.959 -179.763 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.0 mt -108.46 127.79 54.22 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.771 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 p -53.25 138.06 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.647 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -46.24 -38.3 8.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.827 0.704 . . . . 0.0 112.868 -169.502 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.647 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 36.2 t 45.41 -96.48 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.867 0.729 . . . . 0.0 111.611 175.034 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -132.78 -17.36 2.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.316 0.579 . . . . 0.0 109.533 173.925 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 11.4 t -151.94 141.81 22.01 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.656 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.28 0.05 20.68 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' LEU . 32.7 m -124.15 23.99 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 110.059 172.62 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 63.4 tt0 -154.74 87.76 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.505 176.494 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.86 -167.48 32.86 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.113 -176.424 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HG3' HD12 ' A' ' 96' ' ' LEU . 97.0 mt-30 -69.28 137.84 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.313 . . . . 0.0 110.737 179.039 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.8 tp -76.75 114.95 16.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.374 178.037 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 28.8 tt0 -119.11 122.79 42.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.749 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.45 150.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.756 -173.612 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.9 t80 -98.43 106.37 18.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.398 176.467 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 mt -111.78 -167.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.541 179.52 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -57.54 -28.03 63.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.208 0.528 . . . . 0.0 110.78 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.1 16.99 20.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.738 -176.789 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.81 -160.05 26.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.748 176.733 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -78.98 120.94 24.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.982 -179.208 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.83 142.79 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.059 178.313 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.0 mtp -71.84 140.01 49.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 178.388 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.5 t -92.32 125.6 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.0 0.429 . . . . 0.0 110.257 178.105 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 138.26 31.69 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.899 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.3 m -61.77 -21.01 64.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -171.412 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -85.3 59.14 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.241 0.543 . . . . 0.0 109.915 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.2 m -122.61 151.14 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.631 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' GLY . 3.4 m-90 59.07 -96.07 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.995 176.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -133.12 19.66 4.33 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.146 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.651 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 17.8 mmt180 -83.9 172.26 12.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.041 0.448 . . . . 0.0 110.318 -179.688 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 p -131.35 -159.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.564 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.566 ' C ' ' HG2' ' A' ' 94' ' ' PRO . 14.4 t -87.7 15.62 6.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -178.941 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -140.68 172.04 13.26 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 39.6 tt0 -75.99 142.03 42.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.688 -175.098 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.651 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 22.6 m95 -108.14 171.73 7.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.25 171.493 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 26.8 tt0 -88.24 42.01 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.416 0.627 . . . . 0.0 110.747 -173.033 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 2.1 m-20 -133.34 62.19 58.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.141 178.094 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 1.3 Cg_endo -86.25 -32.78 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.827 2.351 . . . . 0.0 112.029 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.881 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.8 m -68.42 -12.51 61.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.711 -174.782 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -65.32 -19.87 66.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.697 178.54 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.7 27.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.898 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 t -50.62 -51.81 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.622 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' TRP . 5.1 mptp? -67.24 -23.19 65.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.62 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.57 -52.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.515 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.07 -35.44 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 109.93 176.895 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.066 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -62.95 -29.26 70.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 110.978 176.721 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.497 HD11 ' HG ' ' A' ' 37' ' ' LEU . 74.3 mt -92.61 2.66 56.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.693 179.583 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 57.66 37.96 27.52 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.874 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -109.11 176.49 5.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.142 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.82 -130.85 2.21 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.138 -176.736 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -74.64 150.52 86.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 111.694 -174.196 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.881 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.5 Cg_endo -84.62 105.09 0.99 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.233 2.622 . . . . 0.0 110.983 173.117 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -71.59 -49.24 42.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.414 -174.701 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.0 m -146.16 148.02 32.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -176.334 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.926 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -149.47 117.04 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.55 -166.25 38.5 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.536 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.566 ' HG2' ' C ' ' A' ' 68' ' ' SER . 27.4 Cg_exo -64.52 95.93 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.855 2.37 . . . . 0.0 111.846 178.213 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -97.94 -33.03 11.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -176.423 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 81.2 mt -123.29 156.11 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 52.1 mtmt -120.65 52.9 1.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -177.549 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 m -92.38 -41.07 10.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.428 178.184 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.6 p90 37.82 72.63 0.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.098 0.959 . . . . 0.0 113.337 177.72 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 p -86.62 101.51 2.13 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.563 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 19.6 Cg_endo -57.71 -28.18 80.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.824 2.349 . . . . 0.0 113.345 -171.166 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -74.1 -44.59 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.2 m -91.61 -37.22 13.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.301 -175.705 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 18.6 m -82.15 127.37 33.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.134 -178.226 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 117' ' ' CYS . 24.6 pt -109.99 151.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.181 0.515 . . . . 0.0 111.196 -177.165 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.6 mt -110.86 121.54 63.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.836 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.81 157.23 17.35 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.829 -174.651 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -130.03 161.86 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.52 -132.26 10.87 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.97 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.39 150.22 23.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -176.452 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.63 103.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 109.37 -1.5 31.01 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.42 179.242 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t -84.39 100.28 11.19 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.126 0.489 . . . . 0.0 110.4 179.654 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -92.55 27.77 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.608 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.705 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 12.1 m -66.24 -55.02 18.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.231 -174.455 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -137.53 105.75 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.588 -179.219 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.414 ' HB2' HD12 ' A' ' 105' ' ' ILE . 8.0 m -114.51 156.02 25.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.437 -179.138 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -117.99 167.47 11.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.042 0.449 . . . . 0.0 111.395 -175.606 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -59.34 141.32 54.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.455 175.584 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 29.9 t -62.88 108.53 1.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.574 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -126.94 49.79 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.781 -174.141 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.505 ' OD1' ' HB2' ' A' ' 125' ' ' CYS . 25.6 p-10 -130.23 -178.99 4.99 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.351 175.597 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.01 -52.52 7.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.928 0.394 . . . . 0.0 111.292 -175.847 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 124' ' ' MET . 15.6 ptp -125.95 101.61 6.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.385 0.612 . . . . 0.0 111.113 -178.049 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.505 ' HB2' ' OD1' ' A' ' 122' ' ' ASN . 6.1 t -111.32 167.85 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.619 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 97' ' ' LYS . 21.7 m170 -140.49 149.78 42.93 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.133 -0.354 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 13.4 m -73.13 124.78 26.26 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.484 HD21 ' HG ' ' A' ' 92' ' ' LEU . 6.7 tt -77.23 123.44 26.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.579 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.69 138.02 14.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.746 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.926 HD13 HD12 ' A' ' 92' ' ' LEU . 65.4 tp -121.17 135.92 55.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.32 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.7 m -116.88 103.98 10.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.806 178.259 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 33.7 m -104.14 134.91 46.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.432 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.443 ' CD2' HD11 ' A' ' 90' ' ' LEU . 41.2 mt -60.84 124.81 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.428 0.156 . . . . 0.0 110.903 177.846 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.765 175.459 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.583 ' N ' ' HG ' ' A' ' 115' ' ' SER . 78.6 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 t -142.61 150.63 40.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.687 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.02 23.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -111.41 -11.12 14.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 0.0 110.488 173.334 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.22 130.58 41.49 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.162 -178.688 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.62 -7.88 22.17 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.944 2.429 . . . . 0.0 112.435 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.68 -25.81 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 174.098 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -75.05 137.57 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.869 -177.832 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -119.72 133.98 55.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.731 0.3 . . . . 0.0 110.471 -178.15 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 153.54 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 143.85 28.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -176.786 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.5 mt -97.06 140.42 31.6 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.952 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -71.13 162.67 29.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.213 177.571 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.34 -72.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.453 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 t 59.78 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.59 0.556 . . . . 0.0 111.141 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -110.48 -44.99 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 109.721 178.636 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -171.28 163.13 7.02 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.607 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.11 -18.58 63.57 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -166.507 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 87.7 m -97.15 3.71 51.49 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.612 -0.435 . . . . 0.0 112.086 -178.736 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 3.6 pt20 -152.46 102.17 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.671 0.748 . . . . 0.0 111.2 177.129 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.27 -165.29 20.16 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.997 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -76.68 133.49 39.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.891 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.08 111.82 18.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -110.26 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 172.534 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.81 152.96 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 -177.171 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -94.08 118.22 31.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.963 -178.242 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.73 176.74 5.06 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.216 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 2.5 tmtp? -59.2 -37.23 76.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -173.588 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -99.36 19.35 15.69 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.09 -173.55 19.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.8 172.154 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.47 140.53 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -178.888 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -138.71 144.66 39.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.536 -178.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.5 mtp -81.81 133.94 35.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.016 178.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.82 116.74 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.092 0.472 . . . . 0.0 109.931 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.5 t -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 176.866 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.457 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 80.3 p -79.24 39.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -175.753 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -118.46 21.63 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.34 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.0 m -99.0 147.54 24.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.166 -175.333 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 3.3 m-90 58.81 -87.5 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 111.957 177.005 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.05 29.2 2.75 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.184 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.761 HH12 HD11 ' A' ' 111' ' ' LEU . 80.5 mmt-85 -109.32 150.72 27.58 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.651 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.6 p -148.55 -82.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.263 0.554 . . . . 0.0 110.523 176.058 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -130.92 0.34 4.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.696 0.76 . . . . 0.0 109.482 176.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -110.66 144.4 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.456 -177.462 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -81.69 139.32 34.99 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.448 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -91.42 164.5 13.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.375 -168.787 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.4 -53.76 54.49 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.504 0.502 . . . . 0.0 112.32 -175.62 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -112.64 104.92 56.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.381 . . . . 0.0 111.288 -175.112 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -93.45 -6.44 2.62 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.944 2.43 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.883 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 33.1 m -85.04 44.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 111.67 -173.597 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -103.25 -19.28 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.817 174.425 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.39 20.67 11.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.863 -178.828 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -54.97 -42.47 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.709 -178.204 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -61.62 -37.3 83.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.024 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.42 -55.18 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.152 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 57.9 m -57.93 -44.91 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 -179.83 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.65 -46.46 88.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -177.302 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.587 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 4.4 mmp_? -76.32 -19.48 58.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.508 -178.61 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -86.85 10.05 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 177.434 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.2 t30 68.67 45.18 1.08 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.134 0.968 . . . . 0.0 110.382 179.202 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 80.1 m -135.44 176.19 8.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.466 176.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.83 -157.34 26.47 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.676 -179.447 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.4 m-20 -55.43 150.21 24.87 Favored Pre-proline 0 N--CA 1.468 0.454 0 C-N-CA 122.692 0.397 . . . . 0.0 112.016 -176.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.883 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 8.8 Cg_endo -85.11 104.31 0.86 Allowed 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.297 2.665 . . . . 0.0 111.877 177.822 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 133' ' ' LEU . 92.6 mt -68.84 -38.59 79.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.199 -178.584 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -147.75 154.29 40.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 -177.354 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 130' ' ' LEU . 7.5 tt -156.03 99.39 1.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.16 -162.32 27.32 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.638 -177.648 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.03 107.22 0.75 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.431 2.087 . . . . 0.0 112.025 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.832 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.8 t80 -93.69 -40.52 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.204 -177.584 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -139.66 163.94 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.53 -178.091 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -111.0 58.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.511 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 m -79.49 -29.36 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.647 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 68.38 -76.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.52 -179.601 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m 46.05 72.28 1.29 Allowed Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.463 0.477 . . . . 0.0 110.758 -173.741 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.44 46.92 1.5 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.383 2.722 . . . . 0.0 113.03 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -139.84 -38.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.006 177.17 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.3 m -105.31 -11.27 16.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.464 -177.012 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.0 p -83.77 127.76 34.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.649 . . . . 0.0 111.705 -175.245 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.8 pt -116.96 155.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.124 179.048 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.87 131.32 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.277 176.146 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.85 147.67 31.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.428 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -117.44 154.48 31.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.017 -172.442 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.5 -123.42 6.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.184 -0.531 . . . . 0.0 114.079 171.901 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.61 119.41 15.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.544 . . . . 0.0 112.353 -172.867 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.761 HD11 HH12 ' A' ' 66' ' ' ARG . 4.8 tt -61.01 118.78 7.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.045 178.036 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.28 -15.98 15.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.665 177.404 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -97.77 135.73 39.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.095 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.479 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 88.5 m-85 -118.69 24.07 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.766 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.583 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 10.0 m -79.77 -43.76 21.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.964 0.412 . . . . 0.0 110.859 -176.274 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -114.9 65.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.169 0.509 . . . . 0.0 111.131 -177.802 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 19.3 m -101.05 159.04 15.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.507 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.8 m -144.21 166.01 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.644 0.259 . . . . 0.0 110.651 -178.599 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -72.84 140.93 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.4 t -60.02 113.45 2.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 -177.812 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -118.09 27.65 8.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -122.03 172.76 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 178.661 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.41 -64.48 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -173.042 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -101.44 155.97 17.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 111.92 -172.218 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 32.3 t -153.83 143.3 21.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.34 176.556 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.457 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 33.3 m170 -126.1 146.88 49.75 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.686 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -83.4 118.66 23.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -177.31 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.27 123.74 24.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 -177.995 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.832 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -109.61 126.85 8.19 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 178.002 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 51.0 tp -103.34 117.88 35.5 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 178.578 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.9 m -104.24 95.83 6.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.723 0.297 . . . . 0.0 110.915 -177.841 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.424 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 4.4 m -98.09 148.07 23.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.8 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 90' ' ' LEU . 66.0 mt -56.59 139.46 49.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.601 176.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.6 -177.439 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 29' ' ' TYR . 11.4 m -83.85 138.24 33.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.114 -178.138 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.04 13.82 0.62 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.449 0.643 . . . . 0.0 110.778 176.882 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 2.9 t80 -115.43 5.29 14.49 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.322 178.89 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 33.2 m-20 -90.7 136.67 27.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.261 178.208 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 28.1 Cg_exo -62.89 -16.21 52.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.336 2.691 . . . . 0.0 112.778 -178.38 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -100.38 -2.09 34.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.707 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.72 132.73 46.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.161 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.88 120.99 41.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 111.209 -177.434 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.21 151.41 38.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.946 177.758 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.71 157.78 44.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.2 mt -107.85 120.2 41.6 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 178.47 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 4.3 m -54.36 115.22 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.634 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -47.18 -74.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.969 0.793 . . . . 0.0 112.506 -166.89 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t 65.62 -68.12 0.12 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.021 0.439 . . . . 0.0 110.482 -176.554 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -120.48 -35.88 3.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.819 -179.261 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 t -151.64 161.38 42.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.631 -175.757 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -88.12 5.06 43.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.276 0.56 . . . . 0.0 109.736 177.129 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -119.74 -1.85 10.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.041 178.784 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.65 119.59 7.65 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.888 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.15 -151.05 11.61 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.797 -179.297 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.537 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 56.3 mt-30 -86.85 147.49 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.16 108.96 18.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.006 0.432 . . . . 0.0 111.11 -177.814 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -112.68 133.64 54.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.482 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.01 152.22 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.666 -177.818 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -103.25 102.92 12.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 mt -104.46 -169.38 1.61 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.958 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.09 -22.48 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 110.489 -179.505 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.99 0.51 47.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.7 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.43 -161.74 14.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.721 175.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.76 125.82 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.833 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -142.35 145.77 34.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.215 0.531 . . . . 0.0 111.157 179.062 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.4 mtp -75.83 140.84 42.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.114 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.21 127.23 41.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.937 0.399 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.7 134.27 39.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.48 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 87.7 p -78.37 51.62 1.05 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.036 0.446 . . . . 0.0 111.374 -177.422 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 6.9 tp-100 -151.49 31.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.666 0.746 . . . . 0.0 109.114 177.039 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -95.23 143.94 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.327 -172.473 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.507 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 3.7 m-90 58.38 -89.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.733 179.112 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -138.95 26.55 2.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.115 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 21.7 mmt180 -100.98 116.62 33.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.825 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 m -75.74 173.49 11.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.926 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -78.62 44.99 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.376 0.607 . . . . 0.0 110.345 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -142.85 152.72 42.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -70.59 107.37 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.585 0.707 . . . . 0.0 109.817 178.156 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 145.68 42.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.287 -175.947 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -82.97 41.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.194 0.521 . . . . 0.0 110.533 -177.874 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -152.53 68.04 6.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.18 0.514 . . . . 0.0 110.809 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.83 -12.58 4.26 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 179.559 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 m -64.95 -16.9 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.187 -174.424 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -71.66 -14.83 62.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.972 0.415 . . . . 0.0 110.342 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.48 10.37 41.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -177.714 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 49.3 m -56.76 -38.22 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.611 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -61.97 -32.02 72.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.888 -179.633 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.76 -49.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 110.274 178.249 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 77.5 m -61.06 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.07 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.4 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 3.2 tmt_? -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.94 4.0 54.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.502 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.86 43.69 5.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.73 0.776 . . . . 0.0 110.917 -178.247 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.5 m -117.69 167.22 11.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 175.445 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.0 49.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.082 178.29 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.44 150.62 23.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.06 0.457 . . . . 0.0 111.945 -175.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 56.0 Cg_endo -73.53 127.12 11.46 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.142 2.561 . . . . 0.0 113.161 -176.558 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 133' ' ' LEU . 95.2 mt -84.04 -45.21 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -145.93 152.49 39.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -176.32 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 130' ' ' LEU . 25.3 tp -151.28 139.11 19.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.284 -177.227 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 -157.13 26.51 Favored Glycine 0 C--O 1.227 -0.295 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.014 177.198 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.13 101.02 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.816 2.344 . . . . 0.0 112.133 -179.655 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 6.7 m-85 -101.74 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.484 -175.883 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 68.4 mt -100.7 168.84 9.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.626 -175.225 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 2.5 mptp? -125.21 64.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 -173.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -77.24 -37.93 52.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.387 178.516 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 69.5 m-85 46.46 72.64 0.22 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.603 0.564 . . . . 0.0 111.812 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.0 m -133.1 91.91 26.87 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.44 178.652 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.5 66.43 2.21 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.271 2.647 . . . . 0.0 111.432 178.257 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 34.7 tt0 -163.63 -54.6 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.268 -178.125 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 m -85.5 -10.38 56.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.639 178.719 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 p -110.26 151.66 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.69 157.5 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.781 178.733 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.3 tt -123.61 127.58 74.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.179 0.514 . . . . 0.0 109.696 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.4 m -98.92 142.04 30.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.945 0.403 . . . . 0.0 111.262 -173.639 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -121.76 170.41 9.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 178.085 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.79 -133.46 11.41 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.759 179.186 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -94.48 134.58 36.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 -175.901 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.96 114.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.622 -178.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.64 -8.64 28.08 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.902 176.59 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -98.87 109.9 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.124 0.487 . . . . 0.0 110.935 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 62.2 m-85 -96.69 22.63 7.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.052 175.74 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.5 m -59.76 -43.43 94.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.605 -175.734 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -148.23 100.27 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.202 0.525 . . . . 0.0 110.518 179.266 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.9 157.31 16.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.696 178.238 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.7 t -109.66 156.56 20.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.729 -176.017 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 26.1 t-80 -73.01 135.7 44.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.215 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.6 m -61.32 116.89 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.186 0.304 . . . . 0.0 110.961 -177.854 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 121' ' ' ARG . 6.3 mmm180 -95.23 7.85 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.727 -176.551 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.45 ' ND2' ' HG2' ' A' ' 124' ' ' MET . 24.9 p-10 -141.75 163.55 32.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.105 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.1 4.86 53.22 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.224 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.45 ' HG2' ' ND2' ' A' ' 122' ' ' ASN . 22.6 ptt? -95.21 18.92 11.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.092 -175.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.84 95.43 4.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.669 0.747 . . . . 0.0 111.61 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.48 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 76.2 m80 -73.87 149.53 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.966 174.663 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 8.5 m -73.79 110.26 7.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.02 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.2 tt -66.83 119.63 12.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.965 -177.069 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -106.08 144.71 15.85 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.906 -178.745 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -131.84 118.18 19.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.88 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.7 m -104.06 99.55 9.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.598 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 59.0 m -85.86 154.97 21.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.107 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 90' ' ' LEU . 21.2 mt -64.08 102.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 0.0 110.272 175.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.179 -178.517 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HG ' ' A' ' 115' ' ' SER . 75.4 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 18.1 m -89.82 148.89 22.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.0 110.338 -176.77 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.518 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -73.2 18.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.764 178.208 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' SER . 6.1 t80 -120.91 2.08 10.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.874 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -90.82 145.5 32.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.42 -21.77 60.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 123.342 2.695 . . . . 0.0 112.891 -178.255 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -99.26 14.79 28.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.853 0.358 . . . . 0.0 111.268 -177.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -84.02 129.05 34.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.841 0.353 . . . . 0.0 110.166 178.169 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.5 mt-30 -116.48 126.28 53.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.464 -177.48 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -158.13 160.3 37.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.354 -177.868 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -141.53 170.49 15.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.76 176.323 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.0 mt -121.0 46.56 2.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.125 -176.516 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.686 HG21 HE21 ' A' ' 47' ' ' GLN . 71.9 p 45.86 -158.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.388 176.435 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -127.4 41.41 3.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.526 178.766 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.374 -171.775 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -157.04 -40.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 -177.914 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -138.26 153.27 49.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.817 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.68 -13.89 62.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.385 -173.352 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 10.2 t -122.57 22.32 9.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 178.381 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -147.87 104.81 3.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.79 -146.5 8.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.88 -178.481 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.686 HE21 HG21 ' A' ' 38' ' ' THR . 22.5 mt-30 -83.59 135.57 34.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 -176.78 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.7 tp -78.19 105.41 9.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.145 0.498 . . . . 0.0 110.898 -179.18 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.17 125.82 51.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.162 173.697 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -109.13 150.79 11.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 76.6 t80 -99.82 101.78 13.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.916 178.651 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.26 -165.04 1.14 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -30.72 71.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -176.276 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -57.36 3.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.574 174.657 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.24 -144.61 9.56 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 178.293 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.572 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.8 m95 -82.78 125.03 30.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.698 0.285 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -140.05 146.42 38.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.9 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.0 mtp -78.18 132.42 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.505 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.75 126.53 40.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.869 0.366 . . . . 0.0 110.631 179.186 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.7 t -80.95 137.53 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.678 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -77.42 8.44 4.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.188 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -110.17 36.8 2.91 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.712 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m -105.16 160.35 15.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.027 -175.06 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 62.37 -89.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.751 175.833 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.77 22.44 1.98 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 177.881 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HD2' ' CE2' ' A' ' 71' ' ' TRP . 85.3 mmt-85 -112.4 143.73 43.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 -176.676 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.423 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 66.0 m -97.85 161.71 13.61 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.112 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 5.4 t -69.29 78.98 0.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 -179.185 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -148.71 157.45 43.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.358 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -79.28 109.22 13.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 -178.401 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 87.7 m95 -91.36 169.44 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.764 -177.929 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.94 24.71 10.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.818 -170.385 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -144.16 86.22 8.48 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.961 0.41 . . . . 0.0 110.695 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.13 -10.84 5.57 Favored 'Trans proline' 0 N--CA 1.452 -0.971 0 C-N-CA 122.149 1.9 . . . . 0.0 111.824 174.341 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 21.1 p -73.62 -1.38 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.016 -174.746 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.2 -19.35 61.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.046 0.451 . . . . 0.0 110.518 174.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.74 22.41 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -174.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -58.09 -36.07 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.658 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 57.0 tptt -65.72 -29.36 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.67 -47.21 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.168 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.06 -39.08 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.602 177.074 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 5.9 tp60 -65.3 -35.44 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.689 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -67.77 -23.03 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 177.838 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.21 9.18 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.114 177.204 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.16 48.16 15.82 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.101 -179.269 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.7 m -117.42 178.4 4.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.685 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.07 -151.91 8.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.096 178.001 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -77.1 151.55 81.67 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-O 121.06 0.457 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 43.1 Cg_endo -74.46 119.77 5.91 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.867 2.378 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.81 -48.52 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.319 -175.969 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -145.11 152.37 39.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -176.764 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.875 HD12 HD13 ' A' ' 130' ' ' LEU . 9.6 tt -147.26 137.8 23.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.119 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.16 -152.48 23.51 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.813 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.49 96.33 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 111.623 176.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.948 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 55.0 t80 -82.9 -41.59 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -176.821 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.533 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 77.3 mt -136.87 151.05 48.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.266 0.555 . . . . 0.0 111.312 -177.663 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -102.88 47.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.67 177.532 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.7 m -77.39 -34.55 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.605 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 98.4 m-85 68.94 -73.44 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.961 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m 42.02 73.71 0.86 Allowed Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 123.443 0.697 . . . . 0.0 112.294 -177.635 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.77 64.47 3.14 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.537 2.158 . . . . 0.0 111.801 178.645 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -166.48 -31.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.705 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 m -107.57 -8.52 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 178.694 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 p -94.59 149.75 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 0.0 110.734 -178.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.3 147.79 32.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.9 mt -111.27 118.88 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.909 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -100.76 161.69 13.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.244 -177.559 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -126.31 157.12 39.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.196 -175.185 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.25 -141.2 15.22 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.305 175.727 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.3 147.11 34.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -176.544 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.41 112.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.213 -176.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 104.59 -4.31 43.16 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.851 177.281 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.1 t -88.01 106.93 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.955 0.378 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.454 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.6 m-85 -98.67 26.08 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 178.502 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.596 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 21.0 m -67.15 -26.9 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.824 -175.848 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -155.97 94.05 1.5 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.985 0.421 . . . . 0.0 110.038 -178.923 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 52.2 m -106.63 153.53 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 -179.11 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -112.91 133.27 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 110.521 -177.297 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -84.58 100.85 11.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.308 175.965 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 m -111.96 141.5 45.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.878 178.203 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -108.85 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.013 0.435 . . . . 0.0 110.805 -178.358 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -110.25 153.02 25.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.545 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.04 34.54 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.104 -169.086 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -121.3 14.49 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 176.855 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 6.9 m -95.7 117.09 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.601 -179.522 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.45 ' HB2' ' OG ' ' A' ' 68' ' ' SER . 33.1 m80 -94.22 143.97 25.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.882 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 m -61.17 116.95 4.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 -179.416 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.74 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.166 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.948 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.54 148.81 16.86 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.489 -176.84 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.875 HD13 HD12 ' A' ' 92' ' ' LEU . 62.4 tp -131.55 124.34 29.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.003 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.0 m -104.41 96.86 6.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.36 178.441 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 60.7 m -86.48 145.34 26.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.3 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.02 105.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 178.906 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.099 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.655 HD11 ' HE3' ' A' ' 53' ' ' LYS . 95.7 mt . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -154.31 150.03 27.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.158 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.95 0.4 7.45 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.488 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -91.34 -17.79 25.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -178.923 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.48 146.26 65.4 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 -177.758 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.28 -15.4 31.55 Favored 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 123.309 2.673 . . . . 0.0 113.458 -174.542 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -110.65 20.51 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.46 -179.164 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -99.25 124.36 44.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.658 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -106.75 141.85 37.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.883 0.373 . . . . 0.0 111.273 -177.002 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.88 154.23 38.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.167 178.621 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 84' ' ' LEU . 5.5 ptp180 -144.63 169.01 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.6 mt -117.31 136.43 53.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.254 174.095 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 p -62.84 155.99 25.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.815 -177.648 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 8.6 ptp85 -68.09 64.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.886 -179.733 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 t -79.14 -60.96 2.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.113 178.069 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -144.36 -74.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 109.751 178.671 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 48.3 t -105.44 163.8 12.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.033 177.579 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -72.92 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.455 -178.613 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.9 m -102.69 11.49 37.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.491 -178.164 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 20.1 pt20 -152.89 131.65 12.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.039 0.447 . . . . 0.0 111.399 -179.697 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.46 -154.93 25.96 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.342 178.022 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.648 ' HG3' HD12 ' A' ' 96' ' ' LEU . 92.7 mt-30 -88.87 133.84 34.15 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.586 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 tp -80.69 116.94 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -111.11 135.71 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.831 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.94 152.05 22.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -177.606 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -93.74 106.76 18.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 178.583 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 105' ' ' ILE . 50.0 mt -99.21 -168.92 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.0 mttt -63.75 -36.68 84.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.386 177.724 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -51.09 10.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.187 178.083 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.62 -147.43 12.02 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.513 177.46 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -86.6 121.8 29.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -177.365 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -136.14 143.15 44.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.629 179.447 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.8 ttp -80.29 133.38 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.363 -179.033 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.18 132.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 -177.485 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -86.22 134.26 33.79 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.012 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 8.6 p -78.51 20.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.074 0.464 . . . . 0.0 111.71 -176.023 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -110.82 33.36 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.0 0.905 . . . . 0.0 108.727 174.928 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -108.52 157.06 18.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.108 -175.836 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 60.55 -89.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.15 0.906 . . . . 0.0 111.764 176.45 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.16 1.18 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.819 179.285 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -104.18 121.27 42.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.815 -179.175 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -89.46 176.51 6.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.682 175.338 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 m -77.43 61.72 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.153 0.501 . . . . 0.0 110.621 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -164.49 155.17 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.711 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.26 110.11 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -76.91 159.97 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -178.975 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.67 53.65 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.086 0.469 . . . . 0.0 111.376 -173.917 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -175.19 78.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.229 171.761 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.01 -4.0 4.56 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.697 2.265 . . . . 0.0 112.098 177.858 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.852 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.4 m -64.87 -12.32 47.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.391 -174.72 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -63.32 -19.82 64.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.637 0.256 . . . . 0.0 111.456 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.45 19.35 15.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 111.255 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.7 p -55.62 -46.49 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.452 -179.701 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.42 -31.3 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 -179.249 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.03 -48.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.185 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.4 m -62.64 -37.69 87.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.062 177.533 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.53 -40.64 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.394 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -60.65 -33.81 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.946 176.351 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 36' ' ' ARG . 80.3 mt -87.7 6.83 32.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.469 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.28 43.95 4.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.701 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.3 m -117.48 -176.53 3.03 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.899 178.014 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.13 -150.8 27.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.206 179.154 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.25 149.14 97.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 111.526 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.852 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 59.5 Cg_endo -80.39 123.47 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.012 2.474 . . . . 0.0 112.639 179.197 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.87 -46.91 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.954 -177.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 m -133.98 143.22 48.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.003 -175.267 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.98 99.49 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.08 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.87 -153.49 9.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.028 -177.932 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.47 83.53 2.21 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.883 2.389 . . . . 0.0 112.777 -178.307 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.02 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 83.4 m-85 -112.74 136.63 52.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 47' ' ' GLN . 87.6 mt 67.26 167.61 0.24 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.771 0.669 . . . . 0.0 110.996 -176.562 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 63.2 mttp -142.29 126.91 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -177.941 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 m -126.46 -41.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 110.329 175.154 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 67.9 m-85 61.81 14.53 6.31 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.05 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -87.62 108.79 22.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 178.888 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.37 -6.63 18.03 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.945 2.43 . . . . 0.0 112.483 -176.514 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -84.21 -22.06 31.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.097 178.754 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 m -108.97 -36.65 6.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.878 -178.127 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -84.17 150.75 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.084 -175.482 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 52' ' ' LEU . 36.3 pt -130.05 147.82 33.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.963 177.788 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.6 mt -112.3 126.55 69.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 173.253 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.0 t -112.64 148.37 34.77 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.742 -175.065 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.35 164.05 12.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.259 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.9 -148.66 17.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.315 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -82.71 142.53 31.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.523 0.329 . . . . 0.0 110.912 -176.377 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.24 105.7 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.581 -179.47 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 -17.45 7.28 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.178 -178.319 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.3 t -91.02 123.13 34.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.0 110.702 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 90.8 m-85 -114.39 26.57 10.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.186 -179.476 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -84.41 -14.16 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.37 -176.304 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -140.2 75.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.182 179.359 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 10.1 m -113.06 151.54 30.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.781 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.2 p -136.06 165.63 25.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.932 0.396 . . . . 0.0 110.647 -179.182 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.76 138.58 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.09 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -67.24 103.18 1.18 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.691 -175.783 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -87.71 34.04 0.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.428 0.632 . . . . 0.0 110.317 174.867 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -143.8 148.76 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.36 -179.184 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -94.41 63.6 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.906 0.86 . . . . 0.0 111.008 -172.946 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -164.13 123.56 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.892 171.42 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.1 t -165.55 130.26 2.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 0.0 111.015 -177.52 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -111.32 132.71 54.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.48 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.431 ' HB2' ' HG2' ' A' ' 47' ' ' GLN . 3.3 p -68.12 140.15 56.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.169 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.477 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.969 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 1.02 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -91.59 113.25 4.3 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.684 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.542 ' HB3' HD21 ' A' ' 37' ' ' LEU . 45.0 tp -105.66 131.71 52.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.909 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.9 m -124.33 105.99 9.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.005 178.159 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 9.1 m -105.68 154.64 20.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 -178.56 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.0 mt -64.46 141.59 58.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.275 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.872 -179.366 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.062 0.458 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.0 m -90.3 142.41 27.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.262 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.669 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -79.02 18.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 111.491 -176.62 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -105.63 -13.99 15.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.767 173.056 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 69.2 m-20 -77.57 137.09 63.35 Favored Pre-proline 0 C--O 1.231 0.112 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -176.497 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.3 Cg_exo -48.24 -50.18 12.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.297 2.665 . . . . 0.0 113.655 -172.409 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.02 12.33 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.024 -171.858 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 91.8 t80 -67.15 113.47 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.868 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.9 121.72 41.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.223 0.535 . . . . 0.0 111.073 -175.735 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.57 148.99 43.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.28 175.947 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.33 159.14 41.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.909 0.385 . . . . 0.0 110.095 -178.498 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 130' ' ' LEU . 86.9 mt -111.93 138.62 48.31 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.301 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 61.7 p -60.8 155.68 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.315 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' NH2' ' HD3' ' A' ' 43' ' ' LYS . 18.3 mmm180 -53.97 -55.41 27.37 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.162 0.288 . . . . 0.0 110.67 -175.26 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 53.65 -95.21 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.901 0.751 . . . . 0.0 112.296 173.847 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -136.88 -24.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.771 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 39.4 t -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.359 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 27.8 mmmt -77.71 11.42 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -173.714 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 1.0 OUTLIER -145.19 22.47 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.339 179.381 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.771 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 10.1 pt20 -155.28 112.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.403 0.62 . . . . 0.0 110.625 176.203 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.12 -161.08 28.49 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.385 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.5 mp0 -73.47 141.99 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.86 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -89.3 109.64 20.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 0.0 110.795 -177.081 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.8 120.69 43.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.408 174.067 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.53 152.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -176.749 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -89.53 104.65 17.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.379 179.314 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD11 HD13 ' A' ' 105' ' ' ILE . 90.1 mt -85.55 177.99 7.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.1 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tptp -79.47 48.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.565 0.698 . . . . 0.0 110.237 -178.029 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -167.33 -36.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.528 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.01 -168.89 42.02 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.027 177.621 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -86.39 131.66 34.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.723 0.297 . . . . 0.0 110.286 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -140.11 141.9 36.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 -179.318 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptm -80.22 136.77 36.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.763 -179.657 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -84.86 143.54 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.59 145.25 31.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.139 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 68' ' ' SER . 92.8 p -81.31 56.27 2.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.197 0.523 . . . . 0.0 111.201 -175.925 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -156.0 46.96 0.47 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.298 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 m -120.14 161.76 20.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.236 -175.554 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.12 31.04 20.95 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.471 0.482 . . . . 0.0 112.28 175.489 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 27.5 73.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.451 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -104.81 146.02 29.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.98 0.419 . . . . 0.0 110.519 178.43 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.1 m -74.45 171.22 14.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.277 -178.79 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 61' ' ' SER . 19.8 m -77.98 -5.94 52.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.216 -176.318 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -95.31 149.22 21.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 175.339 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.09 115.62 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 -176.456 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.9 p90 -77.45 166.85 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.607 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.05 27.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.093 -171.66 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.1 65.09 68.42 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -177.163 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -92.34 -13.3 1.59 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.687 2.258 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 12.4 p -75.43 7.17 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.105 -175.864 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -82.62 -19.31 38.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.159 0.504 . . . . 0.0 110.188 178.731 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.13 14.48 23.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.338 -175.929 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 43.7 m -53.54 -36.71 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.288 179.522 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.83 -37.78 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.822 -178.524 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.55 -47.39 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.814 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 23.4 m -59.89 -41.98 92.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.156 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 78' ' ' SER . 98.6 mt-30 -62.36 -43.02 99.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.166 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -73.91 -13.89 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.471 -178.747 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.29 10.08 35.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.611 172.37 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 62.41 38.74 12.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.335 -178.895 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.64 174.96 5.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.109 178.323 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.81 -109.52 0.85 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.185 -177.041 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.16 153.68 37.89 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 -174.873 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.3 Cg_endo -82.25 104.99 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.646 2.23 . . . . 0.0 111.483 175.269 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.96 -36.98 75.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.414 -176.266 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.9 m -154.74 149.48 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.138 -178.541 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 130' ' ' LEU . 9.1 tt -148.59 117.73 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.075 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.74 -143.95 10.73 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.867 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.03 99.56 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.191 1.928 . . . . 0.0 111.763 178.253 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 75.2 t80 -97.63 -56.51 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.13 -178.367 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 30.6 mt -129.61 -178.76 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.028 178.425 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 61.2 mttp -123.76 57.36 1.19 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.15 0.5 . . . . 0.0 110.25 -175.793 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -67.48 -46.33 73.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.457 178.694 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 39.5 m-85 53.15 82.82 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.879 179.333 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 m -109.0 86.98 4.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.461 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 7.8 Cg_exo -73.39 53.27 2.57 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.455 2.77 . . . . 0.0 112.778 -174.474 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -156.73 -59.9 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.302 176.123 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -82.86 -12.37 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -177.342 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.442 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 27.2 t -69.84 139.44 53.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.61 HD13 HD11 ' A' ' 52' ' ' LEU . 31.6 pt -123.57 129.63 74.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.293 0.568 . . . . 0.0 111.671 -177.306 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.0 mt -96.82 119.23 44.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 167.948 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 6.4 t -109.72 136.57 48.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.126 0.489 . . . . 0.0 110.848 -174.686 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -105.28 149.91 25.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.102 -178.631 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.82 -139.49 10.78 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.144 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 110' ' ' GLN . 14.7 mm-40 -109.86 134.66 51.82 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.826 -0.22 . . . . 0.0 110.699 -178.688 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.95 103.22 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.932 0.77 . . . . 0.0 110.796 177.919 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.669 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 134.01 -20.94 3.98 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.337 -177.104 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 9.5 t -127.04 126.05 42.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 -178.221 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -90.51 71.93 6.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 0.0 109.378 176.973 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -82.83 -59.84 2.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.421 -176.295 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -117.45 78.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.574 -173.515 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 23.6 m -96.6 132.34 42.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 -177.667 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.8 m -111.54 138.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.134 0.492 . . . . 0.0 111.549 -176.771 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -71.65 110.68 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.471 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.0 m -112.81 132.21 55.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.251 0.548 . . . . 0.0 112.206 -168.115 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -99.53 46.56 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.644 175.567 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -109.96 144.93 37.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.18 0.514 . . . . 0.0 111.927 -174.061 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.28 4.63 10.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.122 173.003 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mtt -80.33 -8.28 59.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.448 0.642 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.52 146.41 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -90.92 155.34 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.956 0.408 . . . . 0.0 110.388 -173.736 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -73.78 122.55 22.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.713 -177.615 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 61' ' ' SER . 8.2 tt -82.29 125.83 31.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.279 0.562 . . . . 0.0 110.506 -176.297 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -124.78 158.61 19.33 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.792 177.216 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 92' ' ' LEU . 58.1 tp -121.99 126.19 48.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.551 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 m -108.44 101.73 10.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.297 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.6 m -102.45 134.25 46.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.804 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.02 111.22 2.77 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.689 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.249 -179.287 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -119.52 153.03 35.99 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -74.22 12.27 0.77 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.757 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -109.76 -6.15 15.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.984 0.421 . . . . 0.0 109.997 177.443 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 39.9 m-20 -75.54 141.79 73.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 -178.889 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 52.8 Cg_exo -52.58 -50.62 13.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.732 2.288 . . . . 0.0 112.774 -172.427 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -97.11 20.26 11.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.948 -172.335 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 60.1 t80 -64.74 129.71 40.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.881 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 31.1 mm-40 -103.66 116.69 32.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -175.72 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.35 154.42 40.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.169 178.71 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -152.99 164.0 38.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.402 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -110.21 61.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.94 0.4 . . . . 0.0 110.441 178.921 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.489 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 74.0 p 47.69 -163.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.283 178.651 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -104.84 39.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.505 176.23 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 p -59.59 -73.38 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.933 -174.647 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -170.38 -61.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.307 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.614 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 26.7 t -100.77 151.54 21.56 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.299 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.894 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -88.23 9.51 22.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.796 0.332 . . . . 0.0 110.512 -179.111 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.6 m -120.07 12.92 12.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.985 176.605 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -153.37 138.9 17.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.452 173.346 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.77 -151.32 23.51 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.903 178.881 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB2' HG21 ' A' ' 38' ' ' THR . 24.9 mp0 -102.13 136.45 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.717 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 tp -78.95 113.04 16.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.534 -175.045 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 38' ' ' THR . 48.8 mt-10 -106.4 136.77 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.209 171.27 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.85 153.13 29.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.072 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.8 t80 -95.47 109.8 21.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.436 178.795 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -95.93 -175.58 3.45 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.214 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.04 -30.29 70.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.264 0.554 . . . . 0.0 109.619 178.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.58 -3.98 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.015 178.411 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.4 -162.36 12.68 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.827 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -80.2 129.16 34.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.548 0.213 . . . . 0.0 110.643 -179.445 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -144.76 151.11 38.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.831 178.944 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' HG12 ' A' ' 105' ' ' ILE . 77.6 mtp -80.98 144.22 31.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.269 -177.516 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.65 132.76 35.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.654 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.16 139.9 30.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . 14.5 m -63.89 -19.29 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.058 -175.852 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -87.08 54.52 3.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 0.0 109.74 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -120.69 153.22 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -179.178 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 57.84 -100.34 0.11 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.742 177.169 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.61 31.82 2.7 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 178.328 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -104.04 125.83 50.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.057 0.456 . . . . 0.0 110.815 -179.489 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -95.43 177.29 5.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 94' ' ' PRO . 72.5 m -79.19 59.94 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 110.165 177.633 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -157.07 168.04 28.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -90.12 106.26 18.36 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -69.9 150.33 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.169 178.399 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.66 -33.57 47.67 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.55 -1.204 . . . . 0.0 113.398 -169.207 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.55 85.03 48.39 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 -175.991 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.82 -7.4 11.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.825 2.35 . . . . 0.0 111.967 178.078 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.452 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.2 m -89.13 44.93 1.24 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.622 -174.845 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -11.67 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.358 176.647 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.04 21.74 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.054 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 m -56.6 -36.07 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.234 -179.61 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 59.8 tptt -58.65 -42.46 88.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 177.745 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.74 -48.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.18 179.629 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.12 -37.27 76.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.115 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -66.47 -40.85 89.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 24.7 mmm180 -67.29 -27.24 67.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.768 0.318 . . . . 0.0 110.482 178.354 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 43' ' ' LYS . 61.3 mt -88.81 5.41 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 178.304 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.12 49.4 3.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.181 177.31 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -136.5 176.19 8.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.394 176.602 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.97 -152.98 9.16 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.985 -177.099 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 6.5 m-20 -71.42 155.56 92.6 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 122.546 0.339 . . . . 0.0 111.28 -174.805 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.9 Cg_exo -71.87 116.45 4.71 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.094 2.529 . . . . 0.0 112.111 177.286 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.43 -48.73 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.471 -179.043 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 p -142.08 145.74 34.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 -177.884 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tt -153.15 119.11 5.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.84 -153.99 25.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.75 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 38.5 Cg_exo -61.66 100.96 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.919 2.412 . . . . 0.0 111.752 179.255 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.814 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -94.5 -37.75 11.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -175.894 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.76 136.42 46.33 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.936 -176.762 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.794 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 0.0 OUTLIER -89.13 60.3 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.009 0.909 . . . . 0.0 109.561 174.515 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 m -65.88 -44.12 86.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.163 -174.454 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 53.13 61.7 3.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.09 0.471 . . . . 0.0 110.81 -175.767 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.0 m -148.03 97.39 3.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.012 0.434 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 123' ' ' ASP . 87.9 Cg_endo -84.13 48.25 2.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.812 2.341 . . . . 0.0 112.364 -178.928 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -127.33 28.36 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 110.003 -178.759 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 t -174.43 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.991 -179.334 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 p -83.11 149.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.231 -178.748 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 58' ' ' MET . 29.3 pt -126.85 150.86 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.208 178.391 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.3 mt -110.03 124.2 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.807 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 1.7 t -106.76 147.6 29.45 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.11 -177.163 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -118.22 152.81 34.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -177.671 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.07 -128.72 7.15 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.488 -179.422 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -112.77 139.07 48.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.518 0.199 . . . . 0.0 110.622 -176.602 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.41 114.11 1.14 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.122 179.398 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.6 -7.12 31.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.325 -179.563 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -109.46 117.54 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 178.056 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.12 46.1 0.93 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.785 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 p -63.33 -52.93 59.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.723 -174.599 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -144.73 95.46 2.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.184 0.516 . . . . 0.0 110.073 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 5.6 m -99.79 146.66 26.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.715 179.608 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -112.2 142.59 44.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -175.299 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -74.68 109.46 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.681 177.845 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -63.01 127.1 29.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.504 -176.115 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -102.1 8.23 40.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 175.061 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -109.77 134.55 51.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 p30 -78.23 -7.98 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.028 -177.256 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.0 tpt -72.94 78.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.642 175.63 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 t -146.4 142.68 28.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.057 -175.821 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.794 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 28.2 m170 -117.68 132.97 56.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.049 175.952 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.2 m -70.25 126.68 30.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 61' ' ' SER . 24.1 tp -71.66 116.83 12.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 -178.397 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.814 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.61 139.97 14.92 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.117 -179.482 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 tp -126.17 136.45 52.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.9 m -132.13 108.3 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.58 177.561 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 27.1 m -99.83 143.24 30.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.783 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.42 103.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 111.532 -177.406 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.7 176.126 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 115' ' ' SER . 97.0 mt . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 32.7 t -100.32 157.3 16.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -177.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.49 13.78 0.9 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 111.347 178.774 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -106.77 -2.96 20.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.032 171.001 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.99 124.54 74.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.329 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.73 -17.78 60.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.111 2.541 . . . . 0.0 112.627 -176.793 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -106.33 19.26 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.291 179.125 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.28 121.38 20.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.968 177.453 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -95.65 112.84 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -176.125 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 161.94 39.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -141.1 154.46 45.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.3 mt -107.39 137.49 45.33 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 171.455 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.0 p -56.28 141.4 41.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.589 -176.128 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -72.12 78.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.01 179.11 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.4 p -88.56 -44.98 10.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.307 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -169.66 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.261 -175.502 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 30.0 t -139.3 144.84 38.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.159 173.931 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -72.63 -0.17 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.732 0.301 . . . . 0.0 110.966 -176.607 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.852 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 79.4 m -112.37 21.35 15.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.823 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 13.8 pt20 -157.81 132.99 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.55 174.749 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.08 -163.44 30.15 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.69 144.24 49.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.722 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 tp -88.11 112.39 22.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.991 0.424 . . . . 0.0 110.449 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.77 124.68 52.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.624 175.813 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.35 154.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -176.153 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -94.6 114.18 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.22 -179.679 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 105' ' ' ILE . 88.6 mt -108.45 -177.16 3.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.098 178.211 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.37 -34.6 66.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.904 177.328 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -100.5 24.83 8.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -177.215 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.17 -165.36 19.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.259 174.383 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -75.02 134.59 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -136.01 149.28 48.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.111 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.439 ' HE2' ' HB3' ' A' ' 58' ' ' MET . 75.5 mtp -86.94 130.44 34.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -80.84 125.17 39.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.063 0.458 . . . . 0.0 110.439 178.458 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.42 140.46 29.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.098 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.723 ' HA ' HD12 ' A' ' 128' ' ' LEU . 86.2 p -74.05 0.62 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.764 0.316 . . . . 0.0 111.762 -175.318 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 7.7 mm-40 -88.51 10.65 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.071 176.27 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 m -82.06 134.82 35.37 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 70.56 -44.69 0.58 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.937 0.895 . . . . 0.0 111.13 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.78 162.89 31.05 Favored Glycine 0 N--CA 1.437 -1.278 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 174.865 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -79.5 87.99 5.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.387 0.594 . . . . 0.0 110.079 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 11.7 m -79.91 69.23 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.873 -176.064 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -83.96 -11.11 57.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.802 0.811 . . . . 0.0 109.2 171.181 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -122.36 161.31 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.894 177.212 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -85.07 136.86 33.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.355 . . . . 0.0 110.579 -178.43 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -85.94 137.13 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.107 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.85 23.0 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.632 0.729 . . . . 0.0 110.846 -176.772 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' HE21 ' A' ' 76' ' ' GLN . 25.7 t0 -131.92 70.35 80.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.408 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -83.81 -15.94 6.79 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.337 2.025 . . . . 0.0 113.138 -172.321 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.1 m -78.58 22.99 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.468 -175.865 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.402 HE21 ' CG ' ' A' ' 73' ' ' ASP . 87.6 mm-40 -77.79 -21.96 50.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.111 0.481 . . . . 0.0 109.847 175.032 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.04 35.16 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.437 -177.278 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -59.79 -40.2 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.566 -178.502 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 38.5 mmtm -62.6 -29.69 70.79 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.56 -50.5 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.527 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 70.1 m -60.67 -35.14 75.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.676 177.074 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -36.71 84.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 178.168 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 13.9 mmm180 -67.4 -35.27 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.538 0.209 . . . . 0.0 110.614 178.461 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.09 -0.43 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.621 177.912 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 61.63 52.01 3.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.809 178.574 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.03 -179.58 4.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.02 -170.41 33.06 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.621 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.4 t70 -69.72 146.04 95.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.355 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 53.2 Cg_exo -47.58 125.05 10.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.749 2.966 . . . . 0.0 113.051 178.741 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.59 -44.91 10.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.441 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 m -145.56 150.41 36.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.657 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.76 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -147.99 134.98 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.474 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.82 -153.87 25.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.899 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.81 109.79 2.2 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.148 1.899 . . . . 0.0 111.453 178.328 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.828 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.1 t80 -94.09 -53.44 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.862 -173.937 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.71 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 23.8 tp -144.96 -178.71 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.851 -176.045 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.71 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 96.1 mttt -133.32 86.43 2.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.555 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.2 m -81.96 -26.64 33.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.306 -178.398 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 79.1 m-85 52.75 67.45 0.99 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 178.692 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.7 m -124.78 81.49 61.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.629 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.43 -40.63 53.58 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.632 2.888 . . . . 0.0 114.331 -171.325 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.4 -41.12 96.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 0.0 111.222 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 m -89.06 -28.62 20.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.788 -173.1 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 34.3 p -75.18 140.79 43.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.848 0.356 . . . . 0.0 111.335 -177.938 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 HD11 ' A' ' 52' ' ' LEU . 37.6 pt -129.47 153.18 38.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.6 mt -117.87 124.75 73.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.77 174.118 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -98.57 150.27 21.89 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.198 179.292 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -149.93 166.71 28.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.431 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.63 -81.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 179.627 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.36 127.15 48.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.731 0.301 . . . . 0.0 110.771 -176.403 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.89 125.2 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.932 -177.584 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.633 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 95.9 -16.66 60.74 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.768 177.498 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -88.59 105.08 17.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.014 0.435 . . . . 0.0 110.521 -178.217 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.483 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 98.1 m-85 -90.88 16.43 9.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.257 179.164 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.42 ' HB2' ' N ' ' A' ' 26' ' ' LEU . 7.0 t -95.4 2.11 54.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.726 -179.905 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -138.97 69.86 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 0.0 109.323 -178.731 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 13.4 m -131.41 166.15 21.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.373 -176.162 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.9 m -148.68 140.16 23.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.395 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -80.84 68.93 7.28 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.047 0.927 . . . . 0.0 111.268 -178.509 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.2 t -69.59 112.75 6.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.85 177.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -82.35 72.4 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.017 -176.357 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.17 164.14 11.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.048 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -106.27 28.51 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -177.567 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.76 24.98 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 176.513 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.5 t -91.96 120.79 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.678 -171.723 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.476 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 92.5 m-70 -107.42 136.34 47.37 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 175.038 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -76.92 120.41 22.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.994 0.426 . . . . 0.0 110.59 -175.045 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.7 tt -76.99 134.0 38.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.536 -177.269 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.828 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -129.65 154.35 20.38 Favored Glycine 0 N--CA 1.439 -1.111 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.637 -178.26 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.76 HD13 HD12 ' A' ' 92' ' ' LEU . 57.7 tp -124.12 132.09 53.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.909 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 m -113.57 102.68 10.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.198 178.521 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.852 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 62.8 m -86.35 148.08 25.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.388 179.364 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 tt -73.61 94.55 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.748 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.776 -178.263 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 88.4 mt . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 29' ' ' TYR . 69.1 p -132.49 164.9 25.55 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.23 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.727 178.716 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.2 m-85 -132.9 12.8 4.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.474 173.633 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.3 m-20 -99.74 139.96 21.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.813 176.336 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 18.7 Cg_exo -66.28 -13.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.096 2.531 . . . . 0.0 112.333 -179.434 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.34 -6.91 57.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 178.311 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -80.16 116.87 20.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.019 0.438 . . . . 0.0 110.777 -176.202 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -119.87 135.01 55.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.077 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -142.31 156.24 45.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.735 -178.982 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 8.6 ptp180 -147.27 155.64 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.405 178.999 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.84 91.2 3.57 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.972 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -58.17 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -160.995 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -137.33 90.55 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.265 -173.067 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.6 p -118.21 -71.43 0.74 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.254 0.55 . . . . 0.0 110.275 176.547 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.94 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.908 -178.803 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 32.5 t -129.64 168.08 17.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.348 178.572 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -97.57 -1.24 44.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.431 -174.078 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 134' ' ' GLU . 76.5 m -117.04 18.15 14.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.573 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 1.4 pp0? -161.81 146.12 12.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 177.96 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.72 28.06 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.85 176.478 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG3' HD12 ' A' ' 96' ' ' LEU . 85.6 mt-30 -66.69 124.46 22.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.71 0.291 . . . . 0.0 110.455 179.138 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -82.36 106.45 14.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.5 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -109.33 125.32 52.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.686 174.288 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.69 151.96 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.561 -177.471 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -95.24 119.14 33.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.11 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.5 mt -114.84 -173.04 2.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -46.41 -45.11 17.74 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.149 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 17.61 20.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.042 0.448 . . . . 0.0 111.463 -173.472 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.28 -161.6 12.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.611 175.084 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -77.57 141.24 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -176.384 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -142.06 144.32 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 79.5 mtp -80.73 125.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.987 179.524 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.84 124.61 35.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.546 -179.575 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.54 135.91 33.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.551 178.452 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -69.76 -8.88 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.042 0.449 . . . . 0.0 111.253 -177.445 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 11.1 mm-40 -77.54 -7.67 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 177.472 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -66.95 150.5 49.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.801 -179.684 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.3 m0 73.14 -53.6 0.7 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.063 172.997 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.77 41.79 0.46 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.883 -1.151 . . . . 0.0 114.004 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.76 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER 37.76 83.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.352 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.0 m -102.92 110.71 22.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -97.36 -12.41 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.963 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.92 165.88 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.278 178.056 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.507 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -91.2 150.67 21.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.994 179.797 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -97.18 140.27 31.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 -178.649 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.33 -19.07 47.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.766 -178.486 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -126.82 90.4 49.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 -177.561 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -96.56 18.59 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.241 2.627 . . . . 0.0 112.355 177.498 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.6 m -71.04 -1.45 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.814 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.42 -6.04 55.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.257 0.551 . . . . 0.0 110.514 174.623 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.41 10.79 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -56.05 -32.96 64.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 45.2 mmtm -67.32 -32.45 73.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.087 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.2 t -65.31 -48.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.291 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.1 m -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.147 176.67 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -45.28 95.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.061 178.819 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 23.9 mmm180 -66.89 -22.75 65.96 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.779 -178.707 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.47 0.44 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.793 175.138 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.09 42.48 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -178.252 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.1 m -114.06 172.46 6.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.658 177.697 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.65 -164.57 31.48 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.066 -177.92 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.62 149.09 64.06 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.893 0.477 . . . . 0.0 111.936 -176.112 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 65.1 Cg_endo -76.3 129.59 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.09 2.527 . . . . 0.0 112.398 -179.412 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 133' ' ' LEU . 81.6 mt -98.09 -43.02 7.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.558 -176.09 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 130' ' ' LEU . 45.9 m -148.37 148.86 30.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 111.223 -176.0 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 130' ' ' LEU . 23.1 tp -141.37 131.71 25.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.536 178.246 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.91 -173.07 41.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.249 178.232 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.98 99.56 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.646 2.231 . . . . 0.0 111.256 176.331 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 67.0 t80 -86.9 -38.79 16.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -173.86 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' HG3' ' A' ' 47' ' ' GLN . 90.1 mt -131.89 150.69 52.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 -177.751 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -110.04 83.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.537 178.879 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -89.34 -31.65 17.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.085 -174.278 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 47.29 65.76 1.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 111.566 -176.849 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 m -129.95 90.5 42.49 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.013 0.435 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -78.42 63.7 8.43 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.429 2.753 . . . . 0.0 112.132 -175.73 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -141.04 -72.52 0.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.448 -179.481 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 m -81.01 -16.83 52.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.182 -176.732 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 52.9 p -77.89 147.63 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -177.112 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.02 139.89 49.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 tt -107.77 121.66 61.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 170.589 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.02 153.95 23.88 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.661 -174.749 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.08 148.51 48.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.449 -179.0 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.35 -96.01 0.2 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.819 -177.924 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -140.27 158.88 43.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.677 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.83 116.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.318 -177.506 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.85 3.28 64.21 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.919 177.53 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.6 t -91.9 126.21 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.819 0.343 . . . . 0.0 110.5 178.734 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 93.1 m-85 -124.89 23.49 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 178.15 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 8.3 t -76.79 -22.86 53.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.21 -172.686 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -149.56 88.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.471 0.653 . . . . 0.0 110.082 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 4.5 m -122.52 159.11 28.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.562 -177.678 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -129.66 144.63 51.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.49 0.186 . . . . 0.0 110.51 -179.59 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.58 125.45 26.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 110.075 179.707 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.1 p -76.68 110.85 11.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.98 -173.074 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -94.85 -14.88 24.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.169 0.509 . . . . 0.0 109.982 175.655 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -92.02 117.33 29.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.331 174.295 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -78.91 64.47 3.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.817 -171.084 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.1 mmt -109.34 23.97 13.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.167 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.789 -164.75 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -127.24 134.3 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 171.302 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -76.98 120.89 22.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.031 0.443 . . . . 0.0 111.329 -173.712 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 tp -76.49 135.01 39.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.04 -178.956 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -131.76 150.96 19.64 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.642 177.648 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 92' ' ' LEU . 63.4 tp -123.24 137.56 54.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.613 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.0 m -112.03 111.97 23.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.327 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.16 153.63 23.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.046 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 90' ' ' LEU . 32.2 mt -56.41 122.89 12.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 44' ' ' CYS . 15.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.219 -179.455 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 m -148.75 155.75 41.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.698 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.88 21.79 0.3 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.059 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -116.09 -0.95 12.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 174.245 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.74 143.61 30.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.56 -25.09 15.4 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.948 2.432 . . . . 0.0 112.252 -177.109 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.61 -1.95 54.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -90.98 99.16 12.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.347 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.139 0.495 . . . . 0.0 111.142 -178.308 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.57 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.907 179.721 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD21 ' A' ' 84' ' ' LEU . 4.4 ptp180 -143.53 157.68 44.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.444 . . . . 0.0 110.376 -178.486 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.7 mt -102.21 120.46 40.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 168.691 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.5 p -57.71 152.35 15.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.632 0.73 . . . . 0.0 112.846 -169.757 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -70.14 55.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.212 176.661 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m -95.84 -27.24 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.197 -177.831 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -161.2 -65.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 -177.893 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 35.1 t -136.38 155.49 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.116 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 84' ' ' LEU . 12.6 pttm -70.79 -11.72 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -176.368 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.481 ' HB2' ' OE2' ' A' ' 134' ' ' GLU . 77.6 m -106.97 -5.85 17.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.252 -178.087 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 12.4 pt20 -151.48 114.81 4.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.528 0.68 . . . . 0.0 111.267 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -176.52 -153.0 10.18 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.007 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -85.76 135.93 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.575 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.78 112.58 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 0.0 110.076 178.738 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -115.37 128.97 56.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -119.46 147.54 23.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.025 0.441 . . . . 0.0 111.386 -174.875 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -92.02 118.27 30.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.602 178.437 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -109.29 174.14 6.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.386 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -54.74 -38.05 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.528 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -101.12 26.73 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.291 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.83 -175.97 16.82 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.832 172.485 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.05 137.28 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 -179.591 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -132.96 143.98 49.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.276 -179.202 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.88 139.04 37.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.47 131.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 179.522 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 t -96.77 148.05 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.666 178.112 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.6 p -66.23 -13.09 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 -177.915 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' A' ' 66' ' ' ARG . 78.2 mm-40 -81.84 11.97 4.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 111.287 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -82.11 144.99 30.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 65.85 9.85 6.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.453 0.701 . . . . 0.0 111.447 179.366 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.69 151.43 5.46 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 1.3 mpp_? -78.99 84.7 4.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.343 0.592 . . . . 0.0 111.225 -178.816 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 129.6 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 174.484 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -89.49 -22.68 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.487 -176.121 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -108.11 -81.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.43 -177.297 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.93 173.08 13.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -174.522 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -102.68 157.49 16.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.323 177.147 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.24 -15.97 61.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.817 -167.399 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.531 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 6.4 t70 -138.81 87.62 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.015 -177.586 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.53 -21.46 25.83 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.845 2.363 . . . . 0.0 111.8 176.273 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 p -69.87 -3.71 17.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.244 -177.617 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 12.6 mm-40 -80.37 -17.5 51.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 172.941 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.37 7.54 45.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.427 -175.138 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 m -55.98 -33.99 65.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.342 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.2 mmtm -65.21 -34.37 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.306 179.858 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -64.67 -44.47 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.939 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.9 m -59.03 -38.85 80.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.12 -38.63 91.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.498 178.122 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 25.2 mmm-85 -65.82 -26.16 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.331 178.84 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 36' ' ' ARG . 4.5 mm? -92.82 2.14 56.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.244 177.827 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 64.56 46.99 3.05 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.446 0.641 . . . . 0.0 110.47 -178.273 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.52 179.58 5.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.255 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.55 -164.71 38.25 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.457 -179.546 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.6 151.14 53.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.773 0.429 . . . . 0.0 112.021 -176.38 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.95 117.73 2.29 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.239 2.626 . . . . 0.0 112.979 179.501 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -76.21 -31.05 58.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.05 179.64 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.7 m -154.62 152.38 29.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.239 -176.94 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 130' ' ' LEU . 25.6 tp -141.57 90.66 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.812 178.564 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 128' ' ' LEU . . . -161.81 -113.87 0.31 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.304 -0.951 . . . . 0.0 113.001 -175.601 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -95.9 159.92 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.845 2.363 . . . . 0.0 112.83 -179.365 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.0 t80 -142.18 -60.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 175.019 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 87.8 mt -125.19 143.5 50.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.856 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 10.0 mtmp? -92.71 70.05 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.995 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -71.59 -38.2 70.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.985 -178.378 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 76.8 m-85 50.79 44.41 27.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.863 0.363 . . . . 0.0 111.907 -178.827 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.4 m -116.4 90.05 28.79 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 121.144 0.497 . . . . 0.0 109.895 177.374 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.99 69.82 3.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 123.363 2.709 . . . . 0.0 112.23 -177.581 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -166.85 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.068 178.312 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 p -72.26 -39.78 68.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.476 179.236 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.4 p -88.53 126.88 35.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.283 175.734 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.2 159.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.332 -176.14 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -113.55 114.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.655 176.404 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 71.7 m -99.03 146.8 25.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.386 179.559 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -145.87 160.73 41.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 178.239 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.36 -82.01 0.27 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -138.65 143.51 39.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.024 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.41 110.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.301 0.376 . . . . 0.0 110.621 179.315 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.78 -16.27 28.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.95 -178.384 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -96.2 142.67 28.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 85.5 m-85 -124.53 27.75 6.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.411 179.26 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.3 m -62.46 -32.47 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.03 -174.706 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -136.24 108.62 7.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.032 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 23.5 m -128.05 147.45 50.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.149 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.7 m -128.59 157.77 40.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -68.58 133.05 47.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.43 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -58.31 121.6 11.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.857 -172.222 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 121' ' ' ARG . 1.6 mmp_? -105.25 0.36 27.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.765 176.27 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.69 122.56 46.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.857 -173.883 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.83 38.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.965 0.888 . . . . 0.0 111.0 -176.257 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.6 mtt -120.39 18.29 12.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.21 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.52 110.91 9.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.658 -171.617 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.86 134.57 42.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.246 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 m -66.36 116.58 7.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.152 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 93' ' ' GLY . 8.8 tt -62.58 124.93 22.25 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.747 0.654 . . . . 0.0 111.035 -171.581 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.19 119.78 5.8 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.994 -179.618 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 92' ' ' LEU . 50.5 tp -104.4 115.5 30.48 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.035 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.0 m -101.26 94.54 6.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 -177.103 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.489 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 12.5 m -99.2 150.08 22.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.141 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.21 127.78 33.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 44' ' ' CYS . 20.3 mp0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.739 169.915 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m -113.33 155.48 25.1 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.24 22.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 111.236 175.687 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HE1' ' HA ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -120.54 -4.97 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.964 174.954 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 8.6 m-20 -75.77 129.45 81.32 Favored Pre-proline 0 CA--C 1.519 -0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.108 178.625 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 83.5 Cg_exo -48.36 -44.62 28.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.389 2.726 . . . . 0.0 113.972 -169.237 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.03 25.67 10.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.354 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -71.4 107.53 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.847 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 72.4 mt-30 -75.14 118.65 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 111.252 -175.35 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.83 149.54 31.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.126 178.13 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 36' ' ' ARG . 5.1 ptp180 -139.07 155.73 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.092 0.472 . . . . 0.0 110.236 179.763 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -101.33 130.72 47.55 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 170.699 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -66.42 167.95 9.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.086 0.47 . . . . 0.0 111.351 -174.382 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -81.83 47.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.648 -173.268 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -67.71 -33.29 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -154.58 -50.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.333 174.947 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -160.5 170.1 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.966 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.766 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.62 -3.17 20.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.841 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.6 m -105.75 5.59 31.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.507 178.883 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 2.6 pt20 -162.25 123.86 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.986 176.433 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.45 -160.7 34.35 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.332 179.495 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.7 131.08 41.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 HD23 ' A' ' 128' ' ' LEU . 53.9 tp -78.63 115.0 18.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.086 0.47 . . . . 0.0 110.49 179.176 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -118.95 129.87 55.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' TRP . 35.9 m -120.34 153.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.959 0.409 . . . . 0.0 111.595 -173.278 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 87.8 t80 -97.5 113.04 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.853 175.811 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.51 -168.42 1.63 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.919 178.041 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.812 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.31 -41.19 72.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.416 0.627 . . . . 0.0 110.094 177.979 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -88.33 20.26 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.715 -178.309 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 -159.45 28.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.146 173.58 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 50' ' ' VAL . 88.7 m95 -81.75 117.25 21.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.048 0.452 . . . . 0.0 110.655 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.81 142.4 46.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 179.613 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtp -71.62 143.2 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.014 178.488 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.77 129.88 47.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 0.0 110.477 178.643 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.6 136.43 36.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.961 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 50.7 p -66.5 -7.0 16.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.829 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.638 ' HB3' ' HG3' ' A' ' 66' ' ' ARG . 5.9 mm100 -89.6 15.56 9.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -176.489 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.4 m -79.42 143.06 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.275 -177.203 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.47 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 4.6 m-90 60.02 17.61 6.87 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.517 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.29 93.65 0.1 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.638 ' HG3' ' HB3' ' A' ' 62' ' ' GLN . 35.9 ttp180 -73.45 82.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.5 0.667 . . . . 0.0 110.555 -178.223 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -127.64 142.17 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.382 -179.681 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 62.29 5.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 176.877 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -140.82 144.71 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.835 -175.344 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.694 ' NE2' ' HB3' ' A' ' 91' ' ' SER . 7.9 tp60 -66.3 129.67 40.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.313 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.483 ' HD1' ' HA2' ' A' ' 93' ' ' GLY . 90.6 m95 -69.43 127.19 32.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.648 . . . . 0.0 111.396 -175.104 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.82 -23.43 63.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.727 -174.62 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -121.91 88.57 47.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.529 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.04 -14.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.851 2.367 . . . . 0.0 112.014 177.123 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 50.7 m -65.95 -21.84 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.739 -175.265 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.593 ' HA ' ' HE1' ' A' ' 29' ' ' TYR . 15.8 mm100 -65.75 -13.04 58.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 176.061 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.12 13.45 27.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 110.892 177.969 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 40.9 t -56.55 -43.62 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.811 -177.609 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -62.2 -27.2 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.329 -175.461 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD23 ' A' ' 84' ' ' LEU . 95.9 t -64.97 -52.14 57.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.09 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.2 m -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.477 177.833 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 78' ' ' SER . 31.9 mm-40 -62.14 -47.22 85.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.638 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -70.04 -21.49 63.17 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.698 0.285 . . . . 0.0 111.726 179.708 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 80' ' ' VAL . 3.9 mm? -82.58 -3.15 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.577 173.515 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 66.94 31.79 6.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -178.205 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.59 -174.69 2.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.25 175.927 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.58 -143.45 10.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.511 179.193 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.44 153.01 87.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.735 0.302 . . . . 0.0 110.813 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 57.7 Cg_endo -78.69 114.48 3.46 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.932 2.421 . . . . 0.0 111.935 177.397 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.32 -49.32 13.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.084 -176.962 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.694 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 54.1 m -144.53 149.62 36.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 -174.894 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 130' ' ' LEU . 34.5 tp -146.58 140.06 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.373 -179.501 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.483 ' HA2' ' HD1' ' A' ' 71' ' ' TRP . . . 147.11 -157.89 27.55 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.552 178.362 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 90.91 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.933 2.422 . . . . 0.0 111.781 177.884 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.917 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.6 t80 -73.42 -75.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.978 -177.533 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' PHE . 6.2 mp -130.92 148.08 52.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.584 176.93 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HD2' ' HB3' ' A' ' 124' ' ' MET . 29.0 ttpp -91.6 90.0 7.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 m -67.58 -27.11 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.821 176.5 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HE2' ' HG2' ' A' ' 124' ' ' MET . 17.3 t80 60.03 74.47 0.44 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.468 0.652 . . . . 0.0 110.7 175.416 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 m -139.91 73.19 33.76 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.987 177.813 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 67.52 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.307 2.671 . . . . 0.0 112.794 -176.148 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -172.58 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.622 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.5 t -85.29 -4.5 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.149 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 p -106.33 141.76 37.12 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.545 179.163 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.4 pt -115.24 152.29 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.617 178.538 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.83 127.64 75.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 65.2 m -104.18 147.91 26.91 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.867 -176.674 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -147.25 163.53 36.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.05 -115.77 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.549 -177.533 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.532 ' HB2' ' OG ' ' A' ' 113' ' ' SER . 17.9 mp0 -90.67 148.39 22.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.392 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.9 111.89 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -175.51 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 102.8 -7.59 53.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.605 178.521 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.532 ' OG ' ' HB2' ' A' ' 110' ' ' GLN . 50.4 m -77.73 109.91 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 111.631 -179.565 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.47 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 84.4 m-85 -94.59 19.29 10.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.33 0.586 . . . . 0.0 110.007 173.864 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.4 t -91.31 -9.5 44.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.525 -178.025 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -138.07 76.12 1.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.647 -178.379 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 33.6 m -125.64 148.59 48.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.319 -178.011 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -132.11 170.32 15.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -73.64 136.52 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.595 0.236 . . . . 0.0 110.522 -179.108 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 m -84.31 85.48 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 0.0 110.066 179.3 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 121' ' ' ARG . 14.6 mmm-85 -96.72 38.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -96.49 -164.04 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -176.321 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.913 -178.83 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' ' HE2' ' A' ' 99' ' ' TYR . 62.8 mtt -105.88 86.19 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.608 -177.959 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.57 122.99 22.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 173.32 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -95.46 137.42 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.597 178.298 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -73.13 125.58 28.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.726 0.298 . . . . 0.0 110.274 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 56.8 tp -67.4 111.71 4.21 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.096 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.917 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.95 138.8 14.25 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.984 -177.817 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -123.3 124.51 43.14 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.38 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -108.18 108.81 20.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.332 178.838 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.9 m -106.22 146.58 30.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.87 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.56 125.03 20.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 176.701 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.807 179.914 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.0 m -95.93 155.16 16.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.001 -172.674 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.92 18.0 0.2 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.207 0.527 . . . . 0.0 111.04 176.413 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' SER . 76.4 m-85 -110.7 -6.14 14.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.021 172.857 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -74.83 138.96 73.28 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.39 -1.06 9.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.992 2.462 . . . . 0.0 112.738 -176.165 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -120.35 14.53 12.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.263 0.554 . . . . 0.0 110.46 178.631 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -81.85 136.69 35.35 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 179.847 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -127.46 125.11 39.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.619 -179.153 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.14 161.4 38.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 179.436 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.9 ptp180 -146.44 164.48 32.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.632 178.587 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.87 122.44 47.54 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.028 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 16.8 p -64.27 143.68 57.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.999 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 40' ' ' SER . 26.6 ptt-85 -41.92 -56.12 2.87 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.118 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 23.7 t 58.88 -78.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 110.68 -174.251 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -143.6 -40.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -125.62 146.16 49.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.534 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.628 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.06 23.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -171.932 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 47.5 t -138.92 10.66 2.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.703 0.763 . . . . 0.0 110.181 178.912 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.02 135.41 15.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 177.515 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.46 -161.15 31.52 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 119.52 -1.324 . . . . 0.0 112.83 178.577 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.515 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 25.3 mp0 -73.15 130.86 41.19 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.349 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.52 122.75 22.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -178.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -122.48 125.84 46.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.09 150.75 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.005 0.431 . . . . 0.0 111.241 -174.372 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -94.44 106.18 18.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.842 178.363 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -96.32 -172.74 2.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.852 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.684 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.46 -33.0 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 -179.639 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -72.57 -45.44 59.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.957 176.805 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.29 -156.01 26.76 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.479 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.2 m95 -81.16 116.49 21.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 -178.81 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.86 142.42 50.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.0 mtp -76.43 146.42 38.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.951 178.277 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.64 131.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 110.849 -179.642 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.18 144.83 25.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.969 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.562 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 95.5 p -75.88 12.36 1.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.91 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 29.6 mm-40 -94.65 7.1 46.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.078 0.466 . . . . 0.0 109.925 175.18 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 107' ' ' CYS . 50.4 m -81.92 129.78 34.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.904 -177.87 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 68.42 -62.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 -178.363 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.49 134.63 11.03 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 3.2 mpt_? -77.65 83.29 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.743 0.782 . . . . 0.0 109.407 -177.456 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 m -82.69 83.41 7.67 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.2 -170.328 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 m -79.81 -25.33 40.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 165.13 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -118.94 166.07 13.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.243 -1.344 . . . . 0.0 107.777 174.484 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -91.3 139.52 30.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.743 0.306 . . . . 0.0 111.112 -174.134 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -85.55 146.57 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.986 177.303 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.97 56.94 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.451 -174.439 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.4 t70 -156.25 81.13 3.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.986 174.533 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.51 -7.5 13.73 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.855 2.37 . . . . 0.0 111.799 177.087 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 t -59.46 -31.88 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.034 -178.238 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.47 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 84.3 mm-40 -60.58 -26.85 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 111.214 178.937 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.6 8.79 44.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.619 -175.023 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.434 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.4 t -58.85 -33.88 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.077 179.723 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 43.7 mmtm -63.65 -41.84 98.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.085 177.993 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.01 -46.13 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.208 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 98.1 m -58.58 -38.37 77.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 177.115 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.14 -43.94 93.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.185 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 21.0 mmm180 -67.04 -24.6 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.9 -178.817 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 3.25 55.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.311 177.834 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.41 46.83 9.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.909 0.862 . . . . 0.0 110.354 -178.886 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.9 174.25 6.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 -149.11 3.26 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.701 177.27 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.47 155.7 92.35 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.612 0.244 . . . . 0.0 110.951 178.46 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 2.0 Cg_endo -80.48 120.84 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.094 2.53 . . . . 0.0 111.839 178.231 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.16 -49.95 10.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.862 -178.37 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.9 p -144.96 149.56 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.03 -176.31 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 130' ' ' LEU . 26.9 tp -146.5 126.55 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.872 179.675 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.31 -144.66 14.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.228 178.276 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.49 85.75 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.369 2.046 . . . . 0.0 111.536 178.062 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.55 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 77.7 t80 -84.6 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.728 -175.667 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 127' ' ' SER . 41.1 tp -134.3 148.69 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -177.126 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD2' ' ND1' ' A' ' 126' ' ' HIS . 3.5 mppt? -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 177.413 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -72.74 -31.39 64.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 170.741 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.4 t80 55.63 70.05 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.582 172.24 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.2 m -150.14 81.37 6.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.96 64.29 2.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.92 2.413 . . . . 0.0 112.505 -179.044 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.0 -58.21 0.35 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.526 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -74.45 -18.05 60.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.597 178.189 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 p -96.87 144.11 27.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 pt -116.11 164.58 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.22 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -123.22 133.55 68.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.819 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.0 t -123.21 158.19 31.39 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.734 -175.235 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -148.19 165.41 31.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.78 -124.03 4.48 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -173.711 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -99.76 135.05 41.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.877 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.6 tp -54.41 111.35 0.77 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.955 -176.451 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.93 -4.11 36.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.673 177.858 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 4.1 t -117.09 118.97 33.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.107 0.479 . . . . 0.0 110.719 -179.731 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.406 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.9 m-85 -86.11 51.54 2.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.855 178.646 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -72.54 -37.68 68.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.037 -174.915 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -143.38 95.13 2.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.257 179.879 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 9.3 m -108.74 160.24 16.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.895 -179.902 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.9 m -144.63 172.27 13.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -66.61 140.26 57.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.593 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -64.93 99.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.311 0.576 . . . . 0.0 111.399 -176.723 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -96.12 17.43 15.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.295 175.226 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -104.37 120.52 41.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.083 -177.802 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.44 -31.23 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.687 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -93.07 63.73 3.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.161 0.505 . . . . 0.0 109.79 176.563 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.6 t -87.87 98.3 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.375 0.607 . . . . 0.0 110.799 -179.119 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 126' ' ' HIS . . . . . 0.562 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 17.7 m-70 -87.69 133.3 33.86 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.622 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 15.0 m -68.81 129.84 41.08 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.144 179.823 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 tt -75.45 110.83 10.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.817 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -109.57 132.91 11.31 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.775 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -111.61 133.63 53.73 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.331 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.5 m -122.39 106.27 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.192 178.552 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 20.4 m -95.52 158.9 15.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.004 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.61 46.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.813 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.472 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 6.8 tp10 . . . . . 0 C--O 1.253 1.255 0 O-C-N 123.817 0.698 . . . . 0.0 110.898 177.903 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 53' ' ' LYS . 6.3 mp . . . . . 0 C--O 1.223 -0.3 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 p -109.26 154.6 22.22 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.463 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.87 10.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 111.58 178.845 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.72 -9.29 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.113 172.311 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 3.1 m-20 -66.51 126.08 91.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 177.347 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.5 Cg_exo -60.22 -24.02 75.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.002 2.468 . . . . 0.0 112.691 -179.034 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -113.03 27.3 9.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.336 179.071 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.671 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 54.2 t80 -85.2 92.63 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.928 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 80.9 mt-30 -65.39 129.04 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.191 -176.179 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.1 150.86 36.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.129 177.168 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -140.52 152.73 45.8 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.164 0.506 . . . . 0.0 110.455 -178.819 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 97.1 mt -102.1 141.56 34.75 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 170.298 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 38.4 p -58.05 159.02 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.441 178.868 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 39' ' ' ARG . 3.2 mmp_? -74.14 56.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -177.646 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -71.39 -53.35 14.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.949 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -157.6 -61.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.532 . . . . 0.0 109.682 179.273 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 t -131.29 161.19 32.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.786 -176.418 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -72.09 -0.09 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.0 m -101.52 -3.48 28.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.829 179.473 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -157.9 130.99 7.51 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.918 -0.489 . . . . 0.0 111.753 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.87 -161.43 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.223 177.169 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 35.1 tt0 -84.16 138.25 33.1 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.538 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 tp -89.25 117.25 28.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.289 0.566 . . . . 0.0 112.156 -173.44 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -116.15 130.77 56.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.297 172.708 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.72 151.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 110.772 -178.616 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.2 t80 -96.0 110.6 22.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.248 179.442 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.8 178.89 6.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.331 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.7 mttt -60.37 -37.95 82.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -178.19 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.76 -37.4 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.708 -178.912 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.07 -174.27 44.79 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 119.599 -1.286 . . . . 0.0 113.815 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.23 139.58 42.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.419 -0.391 . . . . 0.0 111.006 -177.027 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -146.28 148.15 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.078 0.466 . . . . 0.0 111.534 -179.385 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtp -83.58 130.44 34.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.021 179.087 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.02 122.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -81.12 137.24 35.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.343 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 p -76.4 41.1 0.24 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.396 0.617 . . . . 0.0 111.064 -178.863 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.559 HE21 HD11 ' A' ' 106' ' ' ILE . 10.0 pt20 -141.92 36.8 1.59 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.728 0.775 . . . . 0.0 109.226 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.6 m -102.59 160.71 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.607 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.407 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 4.6 m-90 60.7 20.79 10.79 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.032 0.533 . . . . 0.0 111.615 177.66 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 15.26 81.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.273 -178.254 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG3' HD12 ' A' ' 111' ' ' LEU . 16.0 mmt180 -96.19 133.05 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 p -79.54 160.32 26.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 m -77.78 67.83 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.148 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -139.44 135.43 33.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.265 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 53.0 tt0 -72.67 116.03 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 -176.773 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -88.62 178.42 6.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -86.8 31.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.242 -177.933 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t70 -155.29 87.61 3.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 -176.589 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -101.85 1.3 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.058 2.505 . . . . 0.0 112.208 171.949 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -81.29 -9.55 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.396 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 85.4 mm-40 -69.0 -24.55 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.651 177.844 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.73 16.91 16.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.099 -177.905 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 8.3 p -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.306 179.08 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -63.24 -34.01 76.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.8 -47.36 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.083 178.44 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.96 -33.0 72.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.66 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 78' ' ' SER . 79.1 mm-40 -63.03 -48.15 79.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.015 179.009 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -20.75 63.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.689 179.676 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.86 1.9 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 176.993 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 t30 63.13 47.96 3.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.637 179.06 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.6 m -129.61 178.18 6.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.59 -145.25 12.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.936 -178.653 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.74 150.83 96.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.748 0.309 . . . . 0.0 111.048 -177.51 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.95 111.21 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.747 2.298 . . . . 0.0 111.889 177.332 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.94 -51.14 11.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.891 -177.618 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.4 m -135.58 149.06 49.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -176.394 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 128' ' ' LEU . 6.2 tt -147.37 116.94 7.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -177.793 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.31 34.92 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.611 -178.673 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 109.42 2.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.604 2.203 . . . . 0.0 112.163 -179.396 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.438 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 86.7 t80 -96.91 -26.64 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.612 -174.565 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.74 140.34 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.74 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -94.2 58.79 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.59 0.71 . . . . 0.0 110.742 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 m -67.67 100.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.288 -177.851 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 124' ' ' MET . 55.3 m-85 -86.51 49.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 0.0 110.232 177.094 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -132.88 112.13 13.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.732 -177.622 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.62 ' HG3' ' HA ' ' A' ' 123' ' ' ASP . 17.2 Cg_endo -91.25 104.41 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.268 2.645 . . . . 0.0 112.392 178.816 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -149.12 -68.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.428 . . . . 0.0 110.405 177.716 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 m -112.2 25.29 11.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.309 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -95.36 142.42 27.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.279 -178.545 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.73 154.39 38.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 112.381 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.559 HD11 HE21 ' A' ' 62' ' ' GLN . 47.6 mt -118.83 125.15 74.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.079 170.765 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.0 m -93.6 140.99 28.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -117.85 139.72 50.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.141 -179.402 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.51 -150.72 16.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.048 -177.743 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -82.74 136.43 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -178.121 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.728 HD12 ' HG3' ' A' ' 66' ' ' ARG . 10.0 tt -54.49 124.19 15.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.657 -179.907 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.37 -20.47 18.61 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.679 -177.923 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.1 t -99.41 114.45 27.37 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.322 0.582 . . . . 0.0 111.145 -179.611 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -99.96 22.88 10.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.359 175.906 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.5 t -70.22 -24.67 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.884 -175.219 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -140.26 94.84 2.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 14.7 m -125.92 144.97 50.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.824 177.803 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -125.78 157.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.868 -176.113 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -58.89 127.41 32.07 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.084 179.095 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.4 p -77.73 82.26 4.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.009 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 25.7 tpt180 -77.72 80.74 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.366 0.603 . . . . 0.0 110.719 -176.023 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.433 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 15.6 t-20 -161.82 155.67 21.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.284 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.62 ' HA ' ' HG3' ' A' ' 101' ' ' PRO . 9.6 p-10 -77.28 32.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -172.618 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.639 ' HA ' ' HA ' ' A' ' 99' ' ' TYR . 13.3 ptp -163.06 146.95 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.967 179.013 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.3 t -146.97 109.13 4.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.705 170.514 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -63.21 102.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 170.902 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 m -75.59 126.78 31.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.902 0.382 . . . . 0.0 111.198 -171.92 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 92' ' ' LEU . 54.3 tp -75.62 133.92 40.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.884 178.947 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -137.98 158.25 24.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.582 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 131' ' ' THR . 3.4 tt -137.89 147.19 44.21 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.857 0.36 . . . . 0.0 110.064 -176.106 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.557 ' N ' HD23 ' A' ' 130' ' ' LEU . 37.7 m -119.4 102.0 8.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.902 177.045 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.5 ' SG ' HD22 ' A' ' 130' ' ' LEU . 19.4 m -88.94 146.31 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.073 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.51 124.44 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 178.481 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.976 -178.394 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' N ' ' HG ' ' A' ' 115' ' ' SER . 4.6 mm? . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 m -147.64 153.71 39.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.818 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -79.41 26.0 0.3 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 111.832 -176.286 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.804 ' HA ' ' HD2' ' A' ' 79' ' ' LYS . 67.2 m-85 -117.66 -0.05 11.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.839 173.293 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.58 137.67 21.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.06 -13.13 37.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.052 2.501 . . . . 0.0 112.91 -177.046 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -96.11 2.06 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.99 178.667 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -86.13 111.51 20.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 16.5 mm-40 -98.35 142.07 30.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.01 179.114 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -156.32 148.76 23.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.409 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -147.6 147.48 30.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.172 0.51 . . . . 0.0 111.334 -178.722 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 130' ' ' LEU . 67.8 mt -93.75 111.14 22.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.138 175.371 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -118.97 -173.46 2.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.58 -174.433 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 63.33 20.54 12.32 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.004 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.1 p -156.39 160.53 39.73 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.196 -178.396 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.86 -7.15 23.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.991 0.901 . . . . 0.0 108.897 178.176 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 8.6 m -79.46 111.7 15.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.112 175.623 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -75.22 -14.43 60.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 -170.33 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 62.2 m -119.19 17.02 13.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.88 0.371 . . . . 0.0 110.72 178.434 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 42' ' ' SER . 25.6 tt0 -159.24 114.31 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.692 -178.243 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.36 24.24 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.967 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.451 HE21 ' CB ' ' A' ' 127' ' ' SER . 54.2 mt-30 -92.0 136.25 33.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 110.328 -179.101 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.7 tp -87.25 114.92 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.171 0.51 . . . . 0.0 111.75 -172.652 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 55.8 mt-10 -110.18 128.19 55.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.944 169.786 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.76 152.55 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.791 -177.12 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 88.6 t80 -99.03 117.37 33.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -107.96 179.33 4.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 171.004 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -57.76 -31.6 66.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.17 0.441 . . . . 0.0 111.804 -174.573 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.96 -20.89 34.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.534 -176.049 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.35 -151.11 23.19 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.524 -177.407 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.464 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.7 m95 -96.45 143.28 27.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 111.108 -175.709 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -145.91 143.86 29.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 75.1 mtp -83.19 140.11 32.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.054 178.87 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -103.42 135.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.958 -178.439 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -87.58 142.61 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.456 174.174 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.9 p -72.95 -2.54 21.36 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.867 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 -0.14 41.84 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.541 178.26 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -69.53 161.26 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.925 -176.083 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.97 29.36 18.97 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.689 175.598 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.32 36.68 79.11 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.964 175.913 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.516 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 60.7 mtt180 -87.0 102.74 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.873 0.368 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -88.15 2.02 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -114.34 174.92 5.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.423 -176.871 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -70.49 -49.97 42.87 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.519 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.759 177.052 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.516 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 3.8 t90 -92.31 145.64 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 174.103 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.06 57.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.456 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -170.52 100.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.13 171.411 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 62.0 Cg_endo -94.09 -2.32 2.93 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.174 2.583 . . . . 0.0 111.592 170.571 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 0.9 OUTLIER -63.51 -25.92 68.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.875 -167.985 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.21 -12.94 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -174.973 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.22 34.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.04 0.448 . . . . 0.0 111.243 -177.976 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -52.4 -56.19 16.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.212 -177.476 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.804 ' HD2' ' HA ' ' A' ' 29' ' ' TYR . 96.8 mttt -72.22 -10.71 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.051 -171.883 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 84.8 t -74.5 -56.31 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.017 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.8 -36.73 85.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.753 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 6.0 tp60 -63.19 -44.51 95.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.981 179.116 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.68 -5.45 53.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.762 -179.38 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 95.9 mt -97.48 2.09 49.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.727 0.298 . . . . 0.0 110.287 171.171 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 64.09 39.57 7.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.145 -179.516 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 76.0 m -118.06 -178.98 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.939 177.357 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.77 178.99 52.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.597 175.36 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 133' ' ' LEU . 3.1 p-10 -61.85 149.07 86.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 0.0 111.822 -176.0 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.573 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 18.7 Cg_endo -58.55 121.85 10.66 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.441 2.761 . . . . 0.0 113.092 -175.83 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -41.96 6.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.886 -174.347 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.476 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 9.0 m -140.89 158.88 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.727 -176.622 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.521 ' HG ' ' H ' ' A' ' 93' ' ' GLY . 21.3 tp -153.27 174.13 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.992 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.521 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 121.86 -150.16 17.07 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.696 174.344 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -85.16 103.45 0.81 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.862 2.375 . . . . 0.0 112.048 179.27 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.063 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.4 t80 -83.68 -49.04 9.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.559 -174.015 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 73.8 mt -139.34 153.67 47.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 111.21 -176.69 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -98.06 66.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.044 178.73 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.3 m -57.69 -36.83 72.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.664 178.754 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 55.5 54.14 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.129 0.49 . . . . 0.0 110.619 173.686 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.1 m -144.9 87.32 7.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.525 -177.622 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HA ' ' OG ' ' A' ' 104' ' ' SER . 4.2 Cg_exo -79.88 57.83 6.68 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 123.116 2.544 . . . . 0.0 112.1 -179.16 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -116.46 -26.95 6.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.797 -178.834 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 m -139.58 21.99 2.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.429 -178.138 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 101' ' ' PRO . 10.8 p -101.77 143.58 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.143 -176.584 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.5 pt -124.07 156.06 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.055 0.455 . . . . 0.0 110.64 178.748 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tt -126.2 133.08 69.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.691 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -106.64 150.36 26.29 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.807 0.337 . . . . 0.0 111.438 -174.394 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -124.43 164.4 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.782 178.061 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.55 -125.8 8.49 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.917 175.252 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.9 134.22 41.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.659 0.266 . . . . 0.0 110.975 -175.185 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.19 113.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.896 179.721 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 114.63 -15.17 19.8 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.148 -179.253 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -97.52 130.58 44.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.067 0.461 . . . . 0.0 110.402 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.28 23.5 12.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.228 177.488 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.484 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 19.2 m -83.58 -14.65 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.714 -177.779 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -132.49 79.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 110.402 178.697 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.9 m -124.27 158.64 32.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.041 179.654 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.2 t -134.67 146.34 49.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -63.19 116.65 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.973 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 t -78.59 111.65 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -173.977 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -105.36 49.1 0.82 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.0 109.446 179.145 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -134.16 134.1 41.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.082 -178.547 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.31 -17.4 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 178.518 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 51.4 mtm -82.26 50.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.991 177.567 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 118.71 27.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.363 -177.459 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -100.18 129.94 46.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.649 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.451 ' CB ' HE21 ' A' ' 47' ' ' GLN . 15.4 m -72.69 135.13 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.594 -174.331 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -73.28 126.49 30.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.683 -179.146 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 1.063 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.42 146.53 18.85 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.099 177.153 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.49 HD13 HD13 ' A' ' 92' ' ' LEU . 61.2 tp -127.3 131.11 50.54 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 -178.34 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 38.4 m -113.55 108.91 17.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.753 174.377 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 43.2 m -86.67 157.54 19.65 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 176.181 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 2.9 tt -60.78 93.99 0.03 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 110.836 -176.511 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.602 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 120.765 0.316 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.9 130.42 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -140.06 154.36 47.05 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.614 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -70.73 1.78 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.704 0.288 . . . . 0.0 111.698 -178.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.57 -18.37 19.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.2 m-20 -66.98 140.89 96.32 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 21.2 Cg_exo -65.93 -22.25 56.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 111.811 176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.67 -17.09 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.633 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.2 t80 -72.77 128.9 36.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.382 0.61 . . . . 0.0 110.457 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -114.91 133.65 55.81 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.139 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.549 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -150.68 157.77 43.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.386 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -147.35 152.43 38.19 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.827 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.739 ' H ' HD21 ' A' ' 84' ' ' LEU . 83.9 mt -90.94 126.73 36.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 169.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -57.08 152.28 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.545 0.528 . . . . 0.0 111.425 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -43.75 -59.24 2.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.772 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t 48.85 -93.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.949 0.78 . . . . 0.0 112.729 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -138.47 -40.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.014 0.435 . . . . 0.0 110.075 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 48.2 t -136.08 142.27 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -4.73 41.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 111.146 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -112.87 17.6 18.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 51.4 tt0 -158.94 94.6 1.23 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.301 0.572 . . . . 0.0 110.432 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.63 -165.6 24.28 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.549 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -79.01 144.49 34.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -78.17 113.17 15.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.182 0.515 . . . . 0.0 110.53 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.86 120.58 42.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.43 154.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 111.761 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -93.49 117.1 29.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' ILE . 75.8 mt -105.47 -177.66 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.65 -45.33 81.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 3.8 m-20 -63.93 -47.16 81.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.756 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.18 -158.27 28.27 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.039 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.8 m95 -73.84 128.79 36.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.361 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 71.7 m80 -139.77 142.22 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.231 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 104' ' ' SER . 72.7 mtp -80.17 150.68 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.01 132.95 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.889 0.376 . . . . 0.0 110.354 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 t -90.85 136.62 32.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 p -79.95 41.85 0.53 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.636 0.731 . . . . 0.0 111.621 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -130.92 25.86 4.96 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -99.71 157.02 16.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.885 -169.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 59.51 23.23 11.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.978 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.41 26.2 74.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.599 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -102.59 146.38 28.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -90.86 159.01 16.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' PRO . 47.2 m -77.97 55.0 1.37 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.315 0.579 . . . . 0.0 111.882 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.21 147.44 43.78 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.58 115.6 5.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.967 0.413 . . . . 0.0 111.645 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.504 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 11.3 p90 -83.31 171.14 13.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.462 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.31 -9.48 57.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -165.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.639 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.8 t70 -122.66 106.45 34.76 Favored Pre-proline 0 C--N 1.327 -0.381 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.714 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -96.51 -8.98 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 0.0 112.659 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -69.99 -20.75 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.992 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.639 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 17.4 mm100 -63.19 -13.16 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.72 13.88 27.5 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.2 m -58.54 -41.57 85.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.998 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -62.47 -31.54 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.58 -47.11 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 78.8 m -57.86 -37.67 74.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 109.948 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.55 -37.73 87.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.169 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 83' ' ' ARG . 11.8 mmm180 -64.92 -26.73 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.739 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.2 mp -100.82 7.71 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.29 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.1 t30 58.98 44.44 16.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.7 m -109.92 -176.8 3.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.428 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.23 -158.09 33.89 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -64.58 149.96 94.59 Favored Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 122.716 0.406 . . . . 0.0 110.811 -177.631 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.3 Cg_exo -76.43 118.4 4.89 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.936 2.424 . . . . 0.0 112.426 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HD23 ' A' ' 133' ' ' LEU . 85.9 mt -79.78 -40.36 28.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.01 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -153.82 152.68 30.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.639 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.7 tt -147.22 114.1 6.12 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.98 -159.77 27.41 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.145 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HG3' ' O ' ' A' ' 68' ' ' SER . 47.1 Cg_endo -69.67 112.89 3.19 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.516 2.144 . . . . 0.0 112.002 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.608 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 50.2 t80 -113.1 92.59 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.016 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt 69.13 -178.23 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.769 0.668 . . . . 0.0 111.105 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 37.7 ttmt -130.31 92.08 3.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.221 -177.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -79.65 -48.0 14.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.96 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.44 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 63.52 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.574 0.702 . . . . 0.0 112.714 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.6 m -150.15 82.13 6.55 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.182 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.34 68.71 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.95 3.1 . . . . 0.0 113.113 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 178.63 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -81.34 -35.55 30.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.766 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.5 p -82.42 132.97 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.091 0.472 . . . . 0.0 110.677 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.762 HD13 HD11 ' A' ' 52' ' ' LEU . 31.8 pt -119.94 163.19 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.647 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.5 mt -131.2 123.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.354 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.62 146.74 26.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.09 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -121.19 138.71 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.08 -119.54 2.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.666 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 132.86 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 tp -51.15 114.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.26 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.11 -20.11 10.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.188 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.9 t -89.01 128.5 35.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -113.95 32.05 6.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.287 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -74.18 84.32 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.36 79.23 0.26 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.155 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 58.9 m -87.69 164.36 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.427 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.2 m -104.89 159.57 15.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.753 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -74.21 148.64 41.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 p -75.21 72.31 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 111.495 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -87.83 60.45 5.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -137.97 163.68 30.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.202 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.45 20.24 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.6 ptp -155.07 68.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.271 0.558 . . . . 0.0 111.285 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 52.8 t -100.95 132.42 46.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.995 0.426 . . . . 0.0 109.892 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -121.33 151.52 40.01 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -78.98 136.53 37.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.769 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.14 127.44 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.17 145.69 16.68 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.639 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.639 HD13 ' HG ' ' A' ' 92' ' ' LEU . 61.6 tp -125.69 126.94 45.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.0 m -109.92 108.72 19.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.263 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.4 m -107.0 147.6 29.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.489 HD23 HD11 ' A' ' 90' ' ' LEU . 54.8 mt -61.71 155.22 23.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.48 0.181 . . . . 0.0 110.667 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 1.7 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 115' ' ' SER . 6.5 mp -125.6 74.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.9 m -97.0 154.23 17.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -74.08 24.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.115 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 79' ' ' LYS . 27.8 m-85 -132.57 17.21 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.341 171.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -99.73 143.24 26.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.25 -16.87 35.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.985 2.457 . . . . 0.0 112.57 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.57 -8.81 49.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.1 118.36 21.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.8 mm100 -104.44 137.84 41.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.183 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 159.45 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.82 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -153.02 155.66 37.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.16 126.33 51.96 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 77.2 p -62.7 153.69 31.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -80.24 50.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -74.35 -45.32 47.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.281 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 11.8 m120 -122.76 -62.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.963 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 t -152.99 -175.31 5.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.76 -33.42 73.87 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.372 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 82.4 m -97.56 18.85 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 10.5 pt20 -161.42 114.53 1.9 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 111.967 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.52 -161.3 31.07 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.418 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 6.0 mp0 -74.98 142.48 43.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 117.067 0.434 . . . . 0.0 109.927 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.66 106.05 16.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.159 0.504 . . . . 0.0 109.772 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -109.34 123.36 49.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.27 155.21 21.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 111.521 -172.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.4 t80 -92.51 107.39 19.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.133 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.75 HD11 HD13 ' A' ' 105' ' ' ILE . 70.3 mt -84.84 175.98 8.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.777 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.64 -38.43 69.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 109.691 177.187 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.34 -16.11 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.592 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.15 -179.6 21.34 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.686 -1.245 . . . . 0.0 113.819 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -71.23 130.03 40.39 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.955 0.502 . . . . 0.0 111.629 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -146.18 157.72 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.3 mtp -91.18 137.59 32.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.28 140.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 0.0 111.064 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 t -99.24 140.99 32.59 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 128' ' ' LEU . 79.6 p -67.46 -24.82 65.66 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.76 24.87 2.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.172 0.511 . . . . 0.0 110.846 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.3 t -79.83 161.47 25.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.948 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 56.96 30.42 18.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.865 0.466 . . . . 0.0 111.598 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.62 16.16 69.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.094 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -74.4 159.42 32.36 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 p -72.21 154.04 41.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.098 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 51.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.131 0.491 . . . . 0.0 111.09 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.621 ' HG2' ' H ' ' A' ' 70' ' ' GLN . 42.2 tttp -149.08 -169.28 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 10.3 tt0 -94.78 130.25 41.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -177.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -90.67 161.11 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.915 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.31 41.21 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.73 0.3 . . . . 0.0 111.688 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -155.62 80.23 4.15 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 0.0 110.195 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 93.6 Cg_endo -81.04 -10.18 12.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.556 2.17 . . . . 0.0 112.014 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 7.5 m -64.33 -11.86 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.042 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 34.4 mm-40 -59.02 -25.48 63.72 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.061 175.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.8 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.586 -176.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -54.37 -48.45 71.47 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.35 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 23.1 tptm -61.68 -38.19 86.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.231 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 97.7 t -63.51 -53.92 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.27 -45.9 91.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -62.11 -42.66 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.769 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.0 mmp_? -74.16 -18.15 60.82 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.936 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 80' ' ' VAL . 9.7 mp -88.27 11.72 15.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.412 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 65.31 37.09 6.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.955 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.2 m -116.77 163.66 15.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.119 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -151.54 25.87 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.235 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.9 m-20 -56.79 148.22 48.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.887 0.375 . . . . 0.0 111.645 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 5.7 Cg_exo -76.24 124.47 7.85 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.946 2.431 . . . . 0.0 111.336 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 133' ' ' LEU . 95.8 mt -88.64 -52.09 5.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 6.4 p -140.46 146.99 38.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.36 113.54 5.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.38 -144.85 8.92 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.841 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.65 103.84 1.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.243 1.962 . . . . 0.0 111.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.998 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 66.3 t80 -84.62 -49.82 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.383 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.9 tp -154.17 151.15 28.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -96.91 82.04 3.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.6 m -73.65 -32.16 63.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.453 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 70.67 -25.91 0.16 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.6 m -50.72 107.19 0.76 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 111.961 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 100' ' ' THR . 17.3 Cg_exo -68.23 -33.26 24.87 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.407 2.738 . . . . 0.0 112.533 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.696 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 60.2 tp60 -64.82 -32.66 74.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.053 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.7 m -88.27 -32.75 18.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.692 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.9 p -92.06 156.56 17.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.408 0.623 . . . . 0.0 112.147 -171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.75 HD13 HD11 ' A' ' 52' ' ' LEU . 24.8 pt -135.35 151.95 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.209 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 mt -119.97 116.36 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 158.77 15.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -131.56 155.33 47.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.83 -125.18 6.55 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.225 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -101.88 141.19 35.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.673 0.273 . . . . 0.0 110.879 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.44 101.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 129.66 -12.58 5.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.397 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.5 t -100.23 119.71 38.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -110.8 31.13 6.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.522 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 26' ' ' LEU . 45.6 m -62.01 -40.09 94.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.944 -172.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -154.93 95.92 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 110.39 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 27.4 m -98.71 151.46 20.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.211 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 m -93.23 135.5 34.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.817 0.342 . . . . 0.0 111.011 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.696 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 63.6 t-80 -57.53 125.6 23.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 174.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.5 t -69.94 92.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 0.0 110.94 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -89.88 53.23 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.34 150.89 24.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.36 22.39 10.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 81.0 mtp -109.28 17.25 21.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.238 0.542 . . . . 0.0 109.867 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.5 t -84.2 134.8 34.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.387 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -107.69 119.36 39.22 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -66.16 130.39 43.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 -174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.1 tt -80.32 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.262 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.998 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -123.99 151.16 17.07 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.954 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 60.8 tp -124.38 128.24 48.78 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 74.7 m -116.1 110.07 18.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.6 m -107.83 154.22 21.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 90' ' ' LEU . 30.1 mt -57.79 127.87 34.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.79 0.328 . . . . 0.0 110.524 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 32.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.423 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.728 0.299 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -131.28 86.26 2.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.035 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 29' ' ' TYR . 9.6 t -118.83 145.94 45.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 17.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.042 0.449 . . . . 0.0 111.887 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.611 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -121.31 6.17 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 177.361 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -95.76 142.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.178 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.93 -12.12 33.59 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.986 2.457 . . . . 0.0 112.766 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.89 1.73 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.339 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.1 117.51 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.2 mp0 -95.61 131.97 41.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.494 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.9 154.27 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' NH1' ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.96 156.47 42.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.7 mt -99.82 132.83 44.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.508 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 41.1 p -52.04 144.05 12.78 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.678 0.611 . . . . 0.0 111.531 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -75.25 54.18 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.424 0.631 . . . . 0.0 109.33 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -90.6 -66.92 0.88 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.065 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.39 -59.37 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.15 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 1.031 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 37.0 t -123.17 146.07 48.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 109.95 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 43' ' ' LYS . 19.9 ptmt -61.26 -22.8 65.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.756 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 69.3 m -118.64 25.58 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.425 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 1.031 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 28.4 tt0 -159.51 109.78 1.93 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.128 0.49 . . . . 0.0 111.253 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.54 -169.81 38.37 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.06 138.6 47.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 tp -80.0 116.67 20.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.977 0.418 . . . . 0.0 110.888 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.13 127.11 52.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.613 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.67 150.84 15.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -90.01 106.22 18.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.053 0.454 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.25 172.64 8.08 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -54.79 -32.17 59.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.904 0.383 . . . . 0.0 111.351 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.82 34.57 3.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.79 175.79 20.47 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.123 -1.036 . . . . 0.0 114.238 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 93.1 m95 -75.65 136.37 40.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.664 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -143.73 142.24 30.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.184 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.8 mtp -71.72 138.77 48.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.145 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.8 t -93.73 131.27 41.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.679 0.276 . . . . 0.0 110.327 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 98.3 m -81.24 141.25 34.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.102 173.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 128' ' ' LEU . 3.1 p -77.0 -3.49 39.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -86.88 7.15 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 m -69.66 150.78 46.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.278 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 60.61 22.41 12.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.497 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.4 47.69 61.82 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.574 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 5.4 mmp_? -103.9 131.14 51.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 110.819 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 m -83.0 175.38 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.686 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.64 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 5.0 p -80.24 55.67 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -133.23 148.59 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.063 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.42 101.03 9.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.487 ' HE1' HD23 ' A' ' 92' ' ' LEU . 39.8 p90 -75.58 146.95 40.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.973 0.416 . . . . 0.0 110.774 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.08 17.61 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -168.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -128.83 80.5 72.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.563 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.4 Cg_endo -85.82 -5.77 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.112 2.542 . . . . 0.0 110.499 169.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -18.27 65.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.459 -174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -74.27 -5.42 41.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.128 -0.357 . . . . 0.0 110.808 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.93 7.01 19.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.48 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m -56.36 -38.29 71.2 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.759 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.611 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 62.5 tttp -65.14 -35.71 81.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.898 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.41 -50.19 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -59.87 -39.34 84.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.398 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.06 -46.1 89.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.366 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 13.6 mmm180 -76.05 -15.16 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.451 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.77 6.29 42.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.479 . . . . 0.0 110.024 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 61.5 38.51 15.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.995 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.8 m -111.28 174.25 5.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.82 -128.03 2.38 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.067 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.03 151.91 73.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.646 0.378 . . . . 0.0 111.299 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 58.1 Cg_endo -80.1 102.31 1.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.666 2.244 . . . . 0.0 111.129 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -35.59 62.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.229 -174.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 m -152.76 151.54 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.903 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 51.3 tp -155.28 131.79 10.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.855 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.468 ' HA2' ' CH2' ' A' ' 71' ' ' TRP . . . 157.12 -156.05 26.9 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 17.3 Cg_exo -67.38 124.62 12.29 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.624 2.216 . . . . 0.0 111.981 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' A' ' 127' ' ' SER . 50.3 t80 -138.11 120.45 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.172 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.1 mt 69.64 120.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.911 0.862 . . . . 0.0 112.143 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -87.76 57.87 4.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.823 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.69 -34.52 74.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 70.14 -12.63 0.48 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.75 0.82 . . . . 0.0 113.072 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -51.75 101.79 0.28 Allowed Pre-proline 0 N--CA 1.467 0.399 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -93.51 21.94 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.224 2.616 . . . . 0.0 112.625 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -104.54 -10.43 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.39 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -126.26 -17.59 5.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.728 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.506 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 79.6 p -92.98 146.28 23.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.371 0.605 . . . . 0.0 112.218 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.1 pt -123.27 144.53 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.463 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.11 124.94 70.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -110.2 151.81 26.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.043 0.449 . . . . 0.0 110.858 -173.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -123.08 168.19 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.925 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.55 -125.54 6.54 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.85 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -125.56 149.23 48.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.58 112.03 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.787 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.72 -12.36 27.55 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.684 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -108.63 122.91 48.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.51 43.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.217 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.1 m -67.8 -53.58 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.952 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.29 80.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 111.032 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 30.7 m -103.66 127.17 51.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.034 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -111.4 147.6 34.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -68.83 123.25 20.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -66.55 121.55 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.758 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -117.16 36.37 4.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -126.34 139.79 53.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.41 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -87.88 22.17 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.688 0.28 . . . . 0.0 111.448 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.1 mtp -132.39 29.12 4.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.598 0.237 . . . . 0.0 111.209 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 110.5 17.8 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.01 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.58 132.68 34.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.776 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 11.1 m -69.16 151.58 46.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.608 HD21 HD11 ' A' ' 92' ' ' LEU . 8.7 tt -96.31 120.56 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -109.18 139.24 15.19 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.334 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 62.6 tp -123.3 121.56 36.14 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.1 m -103.81 104.92 14.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.249 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 16.2 m -99.17 138.25 36.53 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.97 116.94 10.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 3.3 mp0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.262 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.685 0.279 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.66 141.63 28.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -127.52 148.22 50.33 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.04 7.61 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.448 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 54.7 m-85 -96.48 -10.4 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.78 136.85 96.94 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.495 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.86 -18.14 46.97 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.14 2.56 . . . . 0.0 113.185 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -113.54 20.9 15.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -79.26 96.81 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 54.2 mt-30 -76.26 120.73 21.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.755 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.95 154.94 47.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.929 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -145.54 153.5 41.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' H ' HD21 ' A' ' 84' ' ' LEU . 94.7 mt -108.03 134.01 51.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 p -65.07 164.4 13.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.424 0.63 . . . . 0.0 112.626 -173.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -77.59 47.47 0.6 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.345 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -77.51 -64.75 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -117.29 -64.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.557 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 41.8 m -147.33 174.81 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -77.08 7.03 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.999 0.428 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.5 -7.41 15.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.485 HE21 ' HB3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -155.78 119.27 4.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 111.429 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.66 -159.87 29.81 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.343 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' HG3' HD22 ' A' ' 96' ' ' LEU . 93.9 mt-30 -74.61 131.4 40.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.988 0.394 . . . . 0.0 110.025 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -82.81 105.89 14.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.89 128.39 54.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.93 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.23 146.28 14.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.314 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.582 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 46.5 t80 -95.89 91.12 5.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.065 0.46 . . . . 0.0 110.247 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -90.96 -172.79 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -66.89 -26.99 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.104 0.478 . . . . 0.0 110.025 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.686 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.24 -170.14 19.32 Favored Glycine 0 C--O 1.237 0.283 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.149 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.15 132.38 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -143.37 137.9 29.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.222 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.3 mtp -76.03 124.86 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.17 126.92 39.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.26 134.4 34.13 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.488 ' HA ' HD13 ' A' ' 128' ' ' LEU . 18.4 m -48.74 -54.94 12.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 5.4 pm0 -81.07 56.7 2.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.736 0.779 . . . . 0.0 111.674 -174.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -102.2 159.31 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.123 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 60.84 -84.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.531 0.732 . . . . 0.0 111.689 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.57 31.25 0.93 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.314 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 32.7 mmt-85 -98.93 134.85 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.125 0.488 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -112.88 -177.21 3.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.381 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -82.81 58.99 4.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 151.34 10.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -71.71 126.11 28.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.499 ' HD1' ' H ' ' A' ' 73' ' ' ASP . 26.3 t-105 -85.28 158.45 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 35.9 mt-10 -60.15 -37.75 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' H ' ' HD1' ' A' ' 71' ' ' TRP . 15.3 t70 -113.88 97.86 45.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 111.674 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 72' ' ' GLU . 55.3 Cg_endo -100.94 9.05 0.57 Allowed 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.759 2.973 . . . . 0.0 112.14 172.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 5.6 m -76.75 -3.84 40.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.898 -173.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -69.19 -16.2 63.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.438 . . . . 0.0 110.844 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.22 15.88 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -58.55 -40.68 83.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.567 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 22.1 tptm -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.738 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.94 -46.33 85.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.35 . . . . 0.0 110.131 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.2 m -57.54 -38.3 74.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.231 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -68.23 -36.54 79.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.9 mmm180 -61.47 -30.09 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.707 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD21 ' H ' ' A' ' 37' ' ' LEU . 8.0 mp -102.04 9.49 40.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.826 0.346 . . . . 0.0 111.32 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 57.4 45.36 20.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.018 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -112.48 -178.43 3.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.018 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.29 -164.86 36.94 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.608 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.24 149.82 90.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 60.2 Cg_endo -78.7 120.61 4.79 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.699 2.266 . . . . 0.0 112.437 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.28 -52.66 6.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 p -139.94 154.81 47.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 130' ' ' LEU . 51.8 tp -144.32 94.58 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.12 -158.66 9.48 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.791 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.67 79.48 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 123.292 2.661 . . . . 0.0 111.8 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' HB3' HD12 ' A' ' 96' ' ' LEU . 21.5 t80 -77.37 -49.8 14.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.841 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.8 mp -106.44 144.27 33.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.26 0.552 . . . . 0.0 110.949 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.529 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.5 mttm -118.58 67.11 0.77 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.893 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -91.77 -28.88 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.995 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 91.4 m-85 61.58 20.09 10.96 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.1 m -72.39 108.6 4.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.21 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 95.5 Cg_endo -92.29 58.53 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.207 2.605 . . . . 0.0 111.997 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.94 -53.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.111 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -90.97 -0.53 57.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.3 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.7 p -101.08 151.34 21.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.525 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.0 pt -133.35 152.28 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.033 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.19 125.24 73.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -110.09 146.51 35.28 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.997 -174.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -109.32 162.32 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.984 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.47 -106.3 0.98 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.145 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.48 153.33 41.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.39 108.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.69 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.66 -2.29 32.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.27 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.7 t -104.78 95.83 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.225 0.536 . . . . 0.0 110.404 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.27 62.23 5.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 t -99.01 -64.31 1.05 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.711 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -108.49 88.67 2.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.177 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.0 m -108.07 138.18 44.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.759 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 p -117.84 158.17 25.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.124 0.488 . . . . 0.0 111.025 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -66.17 127.19 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.036 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 t -70.14 110.85 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.608 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -94.27 4.06 54.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.502 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.77 133.93 50.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.05 0.452 . . . . 0.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.0 12.2 22.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.694 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -102.06 18.8 19.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 48.8 t -66.01 115.06 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.052 -176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -87.4 135.22 33.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.126 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 12.8 m -79.28 118.24 21.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 61' ' ' SER . 33.0 tp -64.32 120.56 12.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -114.77 124.25 6.31 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.51 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 92' ' ' LEU . 55.9 tp -103.29 117.43 34.49 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.2 m -98.41 86.84 3.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.5 m -85.49 147.72 26.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -58.98 128.46 37.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.7 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' HE3' ' A' ' 53' ' ' LYS . 74.6 mt -87.55 90.79 8.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.314 0.578 . . . . 0.0 111.305 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.7 t -153.99 150.51 28.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.36 29.69 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 111.28 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 27' ' ' SER . 42.7 m-85 -122.93 3.37 9.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.918 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.2 m-20 -108.23 147.93 36.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.354 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 8.0 Cg_exo -73.2 -8.94 22.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.491 2.794 . . . . 0.0 113.165 -175.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -108.21 19.7 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.678 0.275 . . . . 0.0 110.978 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -96.1 118.06 31.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -109.18 134.64 51.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.61 162.83 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.47 166.84 30.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.75 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 43' ' ' LYS . 97.6 mt -107.32 147.73 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 172.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.4 p -76.92 163.18 26.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 110.773 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 ptm180 -84.51 78.25 9.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.489 0.661 . . . . 0.0 111.568 -170.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -83.15 -53.25 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.139 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -157.62 -59.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.122 0.487 . . . . 0.0 110.221 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -124.88 150.08 46.86 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.99 -5.68 36.67 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -170.249 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.99 -4.22 56.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.362 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -145.68 115.34 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.186 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.32 -163.06 29.13 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.286 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 57.0 mt-30 -91.56 139.04 31.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.85 122.48 24.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.22 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -123.53 126.45 46.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 155.37 23.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.147 0.499 . . . . 0.0 111.856 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -85.51 108.85 18.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.757 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 105' ' ' ILE . 94.8 mt -87.14 -167.81 2.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.6 tppp? -67.78 -21.02 65.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 110.591 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.462 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.67 18.38 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.875 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.64 125.24 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.725 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -138.85 145.57 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.68 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.07 139.54 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.265 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.49 130.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 0.0 110.279 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 t -89.94 136.8 32.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -72.28 -2.48 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.73 39.3 1.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.221 1.01 . . . . 0.0 109.144 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.2 m -107.28 150.13 27.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.343 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.5 26.65 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.669 0.606 . . . . 0.0 111.719 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.17 66.11 2.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.361 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.504 HH21 HD22 ' A' ' 111' ' ' LEU . 45.1 mmt-85 -130.19 129.7 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 110.902 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -70.71 162.2 29.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.672 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -77.78 49.49 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.929 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -147.16 146.15 29.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.431 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.77 120.45 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.244 0.34 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.455 ' CZ3' ' HB3' ' A' ' 66' ' ' ARG . 12.7 p90 -92.48 -176.24 4.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.194 0.521 . . . . 0.0 111.591 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -82.92 -29.53 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -160.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -125.78 95.33 40.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.664 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -94.38 -4.32 2.53 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.974 2.45 . . . . 0.0 112.718 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 19.1 m -72.56 -4.51 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -62.84 -19.16 63.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.233 0.54 . . . . 0.0 110.859 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.15 12.22 36.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.003 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 m -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.3 mtmp? -63.45 -35.03 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.34 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.22 -49.38 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.5 m -55.62 -42.87 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.409 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.78 -39.5 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.232 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 16.8 mmm180 -68.16 -19.49 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.273 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.52 9.69 42.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.624 0.25 . . . . 0.0 110.935 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 m120 63.22 41.06 8.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.349 0.595 . . . . 0.0 110.981 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -118.7 167.97 11.16 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.529 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.85 -152.04 27.92 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.939 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 5.5 m-20 -56.13 146.32 51.33 Favored Pre-proline 0 N--CA 1.465 0.296 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.9 Cg_exo -75.79 114.45 3.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.208 2.606 . . . . 0.0 111.7 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD11 HD12 ' A' ' 133' ' ' LEU . 89.9 mt -82.11 -37.66 25.98 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.669 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.3 m -151.14 147.7 27.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 130' ' ' LEU . 8.3 tt -151.32 110.85 3.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.48 -148.94 9.04 Favored Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.77 119.18 5.58 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.124 1.883 . . . . 0.0 111.907 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.614 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 41.2 t80 -145.09 119.5 9.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.77 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tt 57.91 90.98 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.011 0.819 . . . . 0.0 110.911 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -78.83 88.47 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -71.06 -13.81 62.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.008 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.496 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 69.8 t80 59.3 73.65 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.151 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 p -124.62 64.82 41.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.145 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.66 ' HB2' ' HD2' ' A' ' 121' ' ' ARG . 6.1 Cg_exo -74.25 2.64 5.96 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.942 2.428 . . . . 0.0 111.761 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -103.76 12.5 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.502 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.2 m -146.73 -22.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.2 p -87.07 149.58 24.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.076 0.465 . . . . 0.0 111.623 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.961 HD13 HD11 ' A' ' 52' ' ' LEU . 35.0 pt -130.28 146.31 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.867 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.06 117.14 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -96.33 152.83 18.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.983 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.42 161.2 20.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.87 -158.21 14.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.339 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -82.34 144.33 30.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.691 0.281 . . . . 0.0 110.518 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.504 HD22 HH21 ' A' ' 66' ' ' ARG . 61.4 tp -51.26 100.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.554 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 132.67 -26.05 3.69 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.359 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -84.6 109.02 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.185 0.517 . . . . 0.0 110.982 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -93.64 41.62 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.555 0.693 . . . . 0.0 109.337 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 p -79.85 -48.33 13.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.714 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -123.87 112.12 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 55.9 m -130.77 142.95 50.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.358 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 t -122.34 136.93 54.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -77.7 119.38 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.04 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.7 m -108.51 116.89 32.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 0.0 111.432 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 101' ' ' PRO . 9.4 mmm180 -103.1 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -163.41 157.85 20.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -79.6 22.24 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.094 0.473 . . . . 0.0 111.974 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.2 mtt -91.95 -4.27 54.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.541 0.686 . . . . 0.0 109.441 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.0 t -88.82 136.23 33.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.736 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -118.13 131.46 56.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.5 m -64.09 129.51 40.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.676 0.274 . . . . 0.0 110.632 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 47' ' ' GLN . 7.5 tt -83.74 113.15 20.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -98.45 126.0 8.74 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.778 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 92' ' ' LEU . 52.3 tp -108.42 118.59 37.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.0 m -108.33 96.23 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 34.9 m -92.53 152.32 19.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.55 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 90' ' ' LEU . 10.7 tp -68.8 140.23 55.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.713 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD22 ' A' ' 52' ' ' LEU . 96.4 mt -130.24 71.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.137 177.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -113.09 151.19 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 10.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.948 -175.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -94.45 -18.09 21.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 109.947 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.51 131.83 89.73 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.43 -19.15 38.08 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.636 2.224 . . . . 0.0 112.514 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.06 -0.86 49.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.829 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -76.45 106.42 8.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 78.2 mt-30 -86.47 134.65 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.04 146.22 26.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.572 ' NH1' HH22 ' A' ' 39' ' ' ARG . 10.2 ptp180 -141.02 158.45 43.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.553 . . . . 0.0 111.054 -177.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.35 134.15 46.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 55.7 p -50.59 142.12 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.596 0.56 . . . . 0.0 111.63 -178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -69.63 63.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.884 176.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -86.93 -78.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.054 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -101.88 -52.15 3.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.0 110.295 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.543 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.7 t -151.1 172.0 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.646 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -65.07 -23.79 67.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 123.291 0.369 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 134' ' ' GLU . 73.3 m -93.31 -1.46 55.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -172.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.543 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -154.98 130.24 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.746 176.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.41 -161.09 33.43 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.45 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.4 tm0? -82.81 144.52 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.81 113.08 23.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 111.977 -173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -108.84 127.56 54.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.356 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.27 149.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 75.2 t80 -99.09 101.33 12.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.926 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 26' ' ' LEU . 82.1 mt -100.28 -158.8 0.7 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.406 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -69.78 -32.48 70.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 111.244 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -83.59 -16.17 46.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.67 -141.46 13.61 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.264 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.4 m95 -82.52 128.69 34.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 111.154 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -136.57 133.41 36.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.43 178.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HE1' ' HB ' ' A' ' 98' ' ' THR . 60.4 mtp -73.8 137.37 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.6 t -96.37 138.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.8 m -99.71 151.75 20.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HA ' HD13 ' A' ' 128' ' ' LEU . 6.7 m -73.45 -6.29 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.746 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -87.56 22.51 2.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 109.351 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -102.64 151.64 22.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.763 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 55.4 32.56 19.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.164 0.585 . . . . 0.0 112.056 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.78 30.42 72.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.174 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -97.59 164.86 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.966 0.383 . . . . 0.0 109.968 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.5 m -147.34 -163.33 1.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -61.13 -34.37 74.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.441 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 51.7 tptt -123.41 86.57 2.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.064 0.459 . . . . 0.0 110.971 -178.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 69' ' ' LYS . 28.6 mt-30 -153.62 84.11 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.115 172.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.404 ' CZ3' ' HB3' ' A' ' 91' ' ' SER . 78.4 m95 -118.89 69.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.476 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.725 ' HG3' ' H ' ' A' ' 73' ' ' ASP . 7.9 pt-20 -105.64 -77.55 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.649 -0.42 . . . . 0.0 112.112 -175.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.725 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 13.2 t70 -117.93 98.17 51.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 122.31 -0.244 . . . . 0.0 110.978 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -98.54 -2.75 1.02 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.413 2.742 . . . . 0.0 112.834 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -66.64 -17.7 64.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.254 -171.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -62.87 -24.51 67.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.759 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 19.54 6.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.545 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.508 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.2 p -57.49 -35.51 70.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.69 -33.6 73.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.34 -54.26 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.18 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.4 m -62.21 -39.29 92.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.501 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -58.81 -48.73 80.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -71.69 -20.8 61.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.68 0.276 . . . . 0.0 111.437 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.91 4.91 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.3 t30 61.26 48.36 6.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.623 0.725 . . . . 0.0 110.773 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 71.1 m -133.52 163.38 29.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.572 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 132' ' ' CYS . . . -73.86 177.12 45.23 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.298 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 146.52 75.02 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.417 0.627 . . . . 0.0 112.67 -172.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HB3' HD21 ' A' ' 130' ' ' LEU . 29.6 Cg_endo -63.87 103.72 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 113.008 -175.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HG ' ' A' ' 133' ' ' LEU . 88.6 mt -67.84 -40.99 83.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.908 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 71' ' ' TRP . 23.5 m -146.43 150.0 34.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -150.93 115.31 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.66 -154.85 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.619 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.67 73.25 3.56 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.497 2.131 . . . . 0.0 112.391 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 42.9 t80 -71.38 -44.94 64.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.786 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.577 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 96.2 mt -132.02 178.38 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.67 87.93 1.96 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.281 0.562 . . . . 0.0 109.971 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.482 ' HB ' ' HE1' ' A' ' 58' ' ' MET . 20.6 m -86.34 111.97 20.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.18 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.25 69.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.4 m -130.62 76.23 77.7 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.034 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.39 60.55 7.08 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.365 2.71 . . . . 0.0 112.563 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -152.87 -35.31 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.1 m -109.14 24.31 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' MET . 27.0 m -118.56 152.48 35.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.322 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 57' ' ' HIS . 34.6 pt -129.95 156.84 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.338 0.589 . . . . 0.0 111.806 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -123.98 125.96 71.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.9 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.47 154.52 31.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.731 0.3 . . . . 0.0 110.215 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -143.62 152.08 40.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.63 -113.58 1.37 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -111.18 131.69 54.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.739 0.304 . . . . 0.0 110.218 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.7 tp -52.02 110.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.968 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.88 -19.58 7.37 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.405 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -101.05 122.76 44.12 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.979 0.419 . . . . 0.0 110.346 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.403 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 90.4 m-85 -106.8 24.84 12.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.205 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.9 m -78.0 -13.93 59.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.577 -173.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -147.43 75.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.238 0.542 . . . . 0.0 110.047 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 15.3 m -115.39 154.44 29.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.559 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.5 m -111.17 159.45 17.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.72 136.57 33.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.941 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -108.49 118.48 36.88 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.618 0.723 . . . . 0.0 111.816 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 32.27 6.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.84 171.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -97.05 131.34 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.72 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.89 -23.3 65.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.204 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -94.8 29.06 2.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.458 . . . . 0.0 110.618 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 89.64 6.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -61.0 129.2 40.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 m -80.6 129.82 34.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.007 0.432 . . . . 0.0 111.233 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' SER . 17.9 tp -79.59 132.63 36.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.37 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -129.92 153.02 19.85 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.824 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.2 tt -130.5 135.11 47.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.54 ' N ' HD23 ' A' ' 130' ' ' LEU . 25.6 m -112.5 98.86 7.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.844 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.58 ' SG ' HD22 ' A' ' 130' ' ' LEU . 10.2 m -94.1 153.73 17.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.36 133.38 46.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 177.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 2.9 mp0 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.827 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 25' ' ' ARG . 41.7 ttp180 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.54 130.8 55.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.9 m -159.99 146.84 16.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -78.36 12.12 2.09 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.219 -177.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CE2' ' HA3' ' A' ' 112' ' ' GLY . 69.6 m-85 -100.05 -3.67 31.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.435 172.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 73.1 m-20 -97.2 127.13 39.51 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.799 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 33.1 Cg_exo -59.72 -22.12 66.17 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.401 2.734 . . . . 0.0 113.845 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.52 -0.08 57.25 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.475 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -71.94 131.44 42.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.723 0.297 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -112.17 132.41 54.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.94 163.74 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.339 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -144.15 162.7 35.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -118.85 135.89 54.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -56.38 146.26 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.372 0.42 . . . . 0.0 111.036 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -72.01 78.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -96.1 -152.6 0.38 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.747 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -56.34 -58.89 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.294 . . . . 0.0 111.344 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.915 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 17.3 m -89.02 143.05 27.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 134' ' ' GLU . 9.9 ptpp? -70.23 -15.85 62.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.29 -172.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 3.7 t -126.28 43.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 109.48 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.915 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 0.3 OUTLIER -147.93 130.94 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.717 178.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.55 -157.12 28.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.499 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -73.68 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -85.75 109.12 18.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.947 0.404 . . . . 0.0 110.539 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -110.61 121.12 44.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.38 155.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.945 0.402 . . . . 0.0 111.041 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -84.82 97.55 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.801 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 14.7 tp -100.33 -171.47 2.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.364 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.801 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 13.4 tmtt? -54.96 -45.67 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -89.87 24.46 2.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.67 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.54 -163.17 32.31 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.551 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.6 m95 -61.88 122.65 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.287 -176.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -140.28 149.1 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.71 ' HE3' HG21 ' A' ' 98' ' ' THR . 31.9 mtp -83.54 133.5 34.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.763 -176.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.72 129.91 36.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.797 0.332 . . . . 0.0 110.42 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -95.77 156.26 16.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 p -81.67 9.85 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -108.93 44.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.898 0.856 . . . . 0.0 108.731 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -113.08 147.63 36.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.534 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 58.8 21.63 9.22 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.336 0.655 . . . . 0.0 112.135 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.22 29.28 68.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.191 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -116.52 82.13 1.74 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -99.24 44.46 1.02 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.711 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -103.13 159.22 15.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 67.2 mttm -94.16 -14.81 25.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -172.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -168.02 143.07 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -125.77 157.79 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.73 35.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 109.208 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.6 77.53 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.282 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -84.88 -2.82 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.756 2.304 . . . . 0.0 111.676 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.733 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 16.7 m -87.23 16.48 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.986 -174.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -70.45 -17.95 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 0.0 110.21 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.12 36.49 3.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.245 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 50.3 m -56.93 -37.26 71.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.878 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.94 -22.28 65.95 Favored 'General case' 0 C--N 1.334 -0.109 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.25 -51.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -61.59 -35.98 79.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.777 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.4 mm-40 -64.24 -40.69 96.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.017 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -63.48 -28.79 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.442 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.11 -1.41 57.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.76 0.314 . . . . 0.0 110.993 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 65.71 41.18 4.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.23 -178.05 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.65 -155.03 9.51 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.35 176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.67 157.25 87.78 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.891 0.346 . . . . 0.0 111.063 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.733 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.4 Cg_exo -73.94 113.83 3.88 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.833 2.356 . . . . 0.0 112.081 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.44 -42.53 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.285 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -147.84 151.71 36.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -152.39 126.13 8.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.17 -175.75 42.24 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.222 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.662 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 26.9 Cg_exo -61.89 103.34 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.887 2.392 . . . . 0.0 111.692 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.482 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.4 t80 -99.29 -68.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.913 -171.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.2 tp -113.64 151.68 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 111.505 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 138.3 37.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.528 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.71 HG21 ' HE3' ' A' ' 58' ' ' MET . 14.4 t -144.28 151.3 39.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -109.38 58.34 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.502 0.668 . . . . 0.0 110.904 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.5 m -143.73 79.74 13.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.739 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.19 57.69 6.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.366 2.711 . . . . 0.0 112.277 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -144.33 -41.07 0.26 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.258 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.4 p -78.18 -10.74 59.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.542 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' MET . 11.5 p -89.91 143.31 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.881 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.94 154.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.384 0.612 . . . . 0.0 111.959 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 mt -118.72 130.82 73.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.715 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.9 OUTLIER -118.93 153.15 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.684 -0.407 . . . . 0.0 109.948 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.2 168.48 19.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.35 -102.47 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.485 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -124.66 137.04 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -52.29 116.08 2.06 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.674 0.608 . . . . 0.0 111.548 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 108.33 -13.52 36.55 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.537 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -98.95 132.06 44.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.193 0.521 . . . . 0.0 110.762 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.571 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 94.7 m-85 -114.15 39.45 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.031 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -60.4 -44.01 96.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.175 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -150.44 94.28 2.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.006 0.432 . . . . 0.0 110.224 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.3 m -108.52 148.76 29.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 t -124.43 175.46 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -62.29 139.4 58.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.677 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -81.21 62.99 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.914 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 121' ' ' ARG . 0.8 OUTLIER -79.65 91.47 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -144.72 166.61 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.019 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -59.45 -41.12 88.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.613 0.642 . . . . 0.0 111.025 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.38 166.32 18.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.7 t -158.54 97.71 1.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.459 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -87.94 128.39 35.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -70.24 132.5 45.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.45 125.74 27.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.468 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -114.44 144.83 18.45 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.707 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.6 tt -129.26 142.4 50.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.601 ' N ' HD23 ' A' ' 130' ' ' LEU . 87.3 m -119.79 109.17 15.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.651 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 52.1 m -101.31 154.33 18.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.59 90.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.556 0.217 . . . . 0.0 111.544 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.559 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 10.8 tp10 . . . . . 0 C--O 1.251 1.161 0 O-C-N 124.078 0.861 . . . . 0.0 109.347 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.669 0.271 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -118.22 100.67 7.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.103 0.478 . . . . 0.0 110.282 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.2 t -143.68 152.81 41.79 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.02 32.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.123 0.487 . . . . 0.0 111.86 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' A' ' 27' ' ' SER . 62.9 m-85 -125.28 3.41 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.954 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 42.2 m-20 -109.62 138.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 23.3 Cg_exo -65.38 -21.1 61.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.26 2.64 . . . . 0.0 112.673 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.53 -7.1 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -83.62 81.38 8.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.339 0.59 . . . . 0.0 109.529 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -76.6 129.23 36.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.06 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -140.5 158.08 44.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -149.82 153.73 37.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.274 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.1 mt -107.03 124.95 50.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.497 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.575 ' HA ' HH11 ' A' ' 39' ' ' ARG . 43.5 p -65.74 148.27 52.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.575 HH11 ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -75.62 60.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.159 0.504 . . . . 0.0 110.723 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -69.35 -42.36 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.67 -48.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.654 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -143.82 174.16 11.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.16 -8.05 56.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.498 -174.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 13.2 t -127.99 31.03 5.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 0.0 109.105 173.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -154.68 98.99 2.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.05 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.86 -151.48 11.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.983 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.26 142.38 39.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.47 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.54 126.52 52.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.003 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -117.45 151.2 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.614 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -82.9 101.27 10.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.702 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.16 -173.49 3.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.121 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -79.23 56.08 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 0.0 110.305 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -172.6 -40.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.737 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.52 -141.97 7.51 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.0 m95 -92.68 121.12 33.77 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.097 0.448 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.421 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -125.31 139.96 53.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.779 -178.006 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.8 mtp -80.25 131.34 35.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.503 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.88 123.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -95.68 140.35 30.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -66.68 -10.38 45.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.812 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -84.18 44.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 109.707 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -123.08 155.84 36.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.08 19.64 8.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.031 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.55 21.09 77.85 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.703 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -89.16 147.07 24.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.189 0.519 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -87.86 173.05 9.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.3 t -79.24 54.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.206 0.527 . . . . 0.0 110.649 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -147.2 167.53 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -90.51 128.77 36.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -95.17 170.1 9.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.582 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -84.7 48.97 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -167.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.558 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 10.1 t70 -170.3 90.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 171.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.05 -11.27 8.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.593 2.195 . . . . 0.0 110.972 170.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 m -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.925 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.558 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 15.2 mm100 -56.42 -24.23 43.68 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.87 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.75 7.23 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.0 p -59.76 -34.92 73.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.65 -39.12 93.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.675 178.549 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.02 -50.41 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.092 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.5 m -56.14 -39.6 72.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.666 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.42 -42.58 96.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.592 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -68.01 -25.38 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.06 7.51 37.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.672 0.272 . . . . 0.0 110.908 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.9 28.25 12.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.696 0.76 . . . . 0.0 110.561 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.46 172.19 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.977 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -138.4 4.59 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.812 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.95 155.76 90.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.408 . . . . 0.0 111.008 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.5 115.79 4.46 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.032 2.488 . . . . 0.0 111.701 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.2 -48.7 32.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.407 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.7 p -154.14 143.44 21.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.676 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 130' ' ' LEU . 7.9 tt -141.66 145.27 34.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.98 -158.66 28.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.417 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.49 117.67 5.21 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.324 2.016 . . . . 0.0 111.366 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 65.0 t80 -137.97 123.32 19.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.8 tp 73.85 125.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.176 0.923 . . . . 0.0 111.398 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 48.8 mtmt -91.14 73.32 6.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.717 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.54 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.997 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 55.9 m-85 49.33 62.19 2.75 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.939 0.399 . . . . 0.0 111.106 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 m -121.95 89.78 48.37 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.784 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.59 50.69 3.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.141 2.561 . . . . 0.0 112.647 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 48.3 mt-30 -144.75 -62.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.151 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.9 m -81.72 -5.06 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.776 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -102.89 151.34 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.564 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 57' ' ' HIS . 21.3 pt -124.06 151.09 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 111.092 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.9 mt -113.83 118.85 59.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.194 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 82.6 m -97.42 138.94 34.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.712 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -114.49 133.11 56.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.02 -148.7 16.83 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.452 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.31 136.03 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.985 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.84 121.42 11.1 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.448 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -18.17 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.923 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -96.6 116.64 29.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.15 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -107.12 12.91 27.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.241 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.3 m -80.07 3.27 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.186 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -149.11 81.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 40.7 m -127.08 150.16 49.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.458 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 m -125.44 157.87 35.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 64.7 t60 -56.77 130.57 46.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.232 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -73.28 101.41 3.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.034 0.445 . . . . 0.0 109.9 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 6.2 tpm_? -93.23 27.11 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.523 0.678 . . . . 0.0 109.78 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -134.13 117.44 16.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.268 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.75 -41.37 92.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.787 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.1 ptp -82.65 56.77 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.382 0.611 . . . . 0.0 111.597 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -119.13 143.0 47.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.691 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -100.47 138.57 37.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.6 m -79.98 146.48 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tt -84.28 120.45 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.102 0.477 . . . . 0.0 109.902 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.702 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.83 146.42 16.07 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 92' ' ' LEU . 63.3 tp -134.49 130.36 36.56 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.2 m -115.23 113.4 23.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.866 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 59.2 m -101.4 148.29 25.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.7 mt -69.42 94.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.059 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -137.26 102.89 4.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.753 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -133.49 160.04 38.62 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 20.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 111.578 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -111.19 -11.4 14.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.828 172.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -86.43 140.79 34.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.0 -10.8 25.0 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.939 2.426 . . . . 0.0 112.118 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.17 5.17 52.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.797 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -101.96 137.12 40.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -128.29 139.69 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.18 156.22 41.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.769 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -143.52 153.05 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.548 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.76 125.99 47.27 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.8 p -66.1 161.7 21.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.252 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.13 -67.77 0.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.346 0.404 . . . . 0.0 110.735 -174.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t 54.64 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.483 0.489 . . . . 0.0 111.473 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -115.57 -39.15 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -162.89 160.57 25.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.674 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.48 -2.35 13.68 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.682 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 48.9 t -121.22 14.58 11.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.736 0.779 . . . . 0.0 109.642 176.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -156.08 89.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.815 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.82 -163.83 20.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.386 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.529 HE21 ' HB3' ' A' ' 95' ' ' PHE . 2.4 mp0 -74.5 146.37 42.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.51 108.01 18.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.035 0.445 . . . . 0.0 110.336 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.02 127.82 56.0 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.56 154.01 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.262 0.553 . . . . 0.0 112.193 -171.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 15.6 t80 -109.42 110.49 21.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -93.01 -67.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.119 0.485 . . . . 0.0 110.13 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -162.55 -38.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -64.5 -45.65 86.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.023 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 162.55 -140.37 6.5 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -102.35 124.97 48.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.941 0.401 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -138.13 147.52 44.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.3 mtp -86.46 144.84 27.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.808 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 140.2 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.67 0.271 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 11.3 m -96.09 154.68 17.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.749 177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.597 ' HA ' HD12 ' A' ' 128' ' ' LEU . 16.4 m -83.86 41.31 0.79 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -139.1 32.46 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . 57.7 m -98.72 146.28 26.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.367 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 60.79 25.69 15.55 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.683 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.82 18.91 79.15 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.322 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -95.89 127.18 41.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.939 0.399 . . . . 0.0 110.274 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 165.99 12.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.337 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 24.8 t -77.88 52.39 1.04 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 110.697 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.2 162.09 29.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -84.3 104.34 14.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.535 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 17.6 p90 -74.17 162.77 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.793 0.806 . . . . 0.0 112.101 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.57 -25.78 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.314 -165.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -128.79 87.34 55.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.243 0.544 . . . . 0.0 111.94 -175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.902 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.0 Cg_exo -82.13 -3.66 11.65 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.249 2.633 . . . . 0.0 111.84 174.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.5 m -59.04 -26.16 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.415 -173.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -69.03 -5.67 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.429 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.3 17.72 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.996 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 p -54.9 -38.54 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.265 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -62.21 -30.62 71.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.37 -47.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.25 -39.77 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.806 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.68 -39.5 91.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -63.92 -28.7 70.01 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.808 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -91.66 8.23 37.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 60.17 48.03 8.73 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.782 0.801 . . . . 0.0 110.948 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.52 179.77 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.13 -148.12 15.09 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.982 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.83 152.65 96.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.994 0.426 . . . . 0.0 111.221 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 34.8 Cg_endo -71.3 121.32 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.566 2.177 . . . . 0.0 111.875 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.1 -49.9 11.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.832 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -155.4 149.91 26.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.911 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -136.86 120.66 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 128' ' ' LEU . . . -178.54 -141.1 4.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.94 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.21 150.26 20.03 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.475 2.116 . . . . 0.0 112.37 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.529 ' HB3' HE21 ' A' ' 47' ' ' GLN . 0.2 OUTLIER -139.89 125.13 18.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.303 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.8 mt 59.39 -176.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.519 0.676 . . . . 0.0 111.368 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -137.23 52.97 1.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.989 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 m -78.52 -29.91 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.181 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.494 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 59.7 m-85 52.13 27.05 4.26 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 m -82.08 105.74 5.11 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.604 0.24 . . . . 0.0 110.944 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 83.3 Cg_endo -82.36 -2.7 11.22 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.972 2.448 . . . . 0.0 113.207 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -90.4 -25.84 20.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -98.11 -15.76 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.929 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.466 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 16.9 p -106.56 158.33 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.771 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.45 157.16 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.887 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.37 123.75 67.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.879 176.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 94.8 m -96.48 150.59 20.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.469 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -124.02 167.16 14.55 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.08 -134.08 11.58 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.991 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.64 141.4 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 111.31 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.82 112.79 0.76 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.502 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.07 -15.42 23.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.6 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -94.3 22.04 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.593 0.711 . . . . 0.0 109.579 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m -90.74 15.85 10.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.37 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -160.76 81.18 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.414 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 19.0 m -134.17 148.28 50.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.5 m -137.14 162.48 33.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -68.25 129.77 40.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -61.9 120.98 11.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.441 0.463 . . . . 0.0 111.721 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -84.54 -2.67 57.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.623 0.725 . . . . 0.0 109.398 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -97.67 113.19 24.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.03 31.26 0.55 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.369 0.604 . . . . 0.0 111.946 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.1 ptp -152.07 46.9 0.77 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.9 t -69.82 129.88 40.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.881 -173.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -78.47 118.67 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.684 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 p -68.75 134.83 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.8 tt -98.51 146.49 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.439 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -147.32 168.1 28.43 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.375 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 ' HG ' ' A' ' 92' ' ' LEU . 59.6 tp -132.95 134.93 45.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.4 m -112.41 112.52 24.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.055 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 39.5 m -103.34 152.97 20.94 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.3 101.8 0.19 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.474 178.795 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.505 0.193 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -125.15 64.45 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.016 0.436 . . . . 0.0 110.848 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 29' ' ' TYR . 3.7 p -115.81 153.74 30.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 33.72 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 27' ' ' SER . 72.2 m-85 -124.33 -14.98 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 36.9 m-20 -82.6 141.81 45.39 Favored Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 12.1 Cg_exo -71.48 -2.68 11.67 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.137 2.558 . . . . 0.0 112.112 176.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.28 -10.64 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.82 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -83.11 106.39 14.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.125 0.488 . . . . 0.0 110.563 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.8 mt-30 -98.41 130.5 45.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.972 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.32 155.46 42.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.962 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.481 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.1 ptp180 -146.8 161.19 41.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.025 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' CYS . 84.3 mt -107.86 132.64 53.23 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 p -65.23 158.71 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.729 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.15 -70.69 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.28 0.362 . . . . 0.0 110.037 -175.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 t 58.66 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.747 0.655 . . . . 0.0 111.49 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.83 -39.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 23.3 t -160.07 165.21 32.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.335 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.654 0.264 . . . . 0.0 111.436 -176.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 98.7 m -110.9 33.37 4.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.132 0.491 . . . . 0.0 110.148 177.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 59.8 tt0 -156.4 80.74 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.693 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.51 -161.07 16.1 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.47 140.11 32.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -82.07 113.1 19.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.281 0.562 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -116.21 127.25 54.61 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.66 149.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 111.968 -171.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.513 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 51.9 t80 -93.7 100.24 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.845 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.07 -163.84 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.646 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -55.17 -41.05 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.463 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -82.63 -26.04 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.766 0.317 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.07 -151.24 20.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.779 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -71.28 118.55 14.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 111.287 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -137.53 150.5 47.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.435 176.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -89.81 151.67 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.2 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.42 134.36 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 t -92.65 143.43 26.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.764 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.2 m -73.37 62.05 0.69 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.99 0.424 . . . . 0.0 111.594 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.52 51.85 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -119.69 154.13 34.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.109 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 60.84 -89.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.171 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.41 27.42 1.22 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -121.2 128.85 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -85.41 -169.73 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.462 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -78.65 51.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 0.0 110.87 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.667 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -123.36 165.31 17.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.105 179.027 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -94.0 89.93 6.25 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HH2' HD11 ' A' ' 128' ' ' LEU . 49.3 p90 -72.26 170.27 14.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -171.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -93.07 33.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.664 -170.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -149.2 61.39 5.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.106 0.479 . . . . 0.0 110.187 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -87.22 -16.21 3.36 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.538 2.158 . . . . 0.0 112.187 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.492 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 13.6 m -62.43 -17.14 58.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.689 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -58.87 -31.09 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.822 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.28 11.34 28.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.804 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 p -60.75 -29.92 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -70.37 -26.11 63.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.78 -46.81 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.03 -39.88 79.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.76 -43.69 94.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -66.74 -21.63 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.598 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.72 5.74 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 59.29 49.38 9.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.731 0.777 . . . . 0.0 111.236 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.1 m -127.95 168.05 15.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.303 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.27 -160.95 12.88 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.212 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.46 153.12 62.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.385 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 21.0 Cg_exo -64.72 116.14 3.63 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.933 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 tt -75.07 -48.28 24.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -148.16 148.29 30.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.565 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -142.56 115.06 8.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.18 -132.0 2.23 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.124 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -88.66 111.11 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.66 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.632 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 27.2 t80 -119.51 104.54 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.1 tp 69.27 166.48 0.27 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.83 0.706 . . . . 0.0 110.212 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -122.85 97.54 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.972 -0.455 . . . . 0.0 110.943 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 m -79.27 -33.32 43.56 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 48.14 52.35 13.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.739 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -111.25 97.29 34.8 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.2 54.55 2.77 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.456 2.771 . . . . 0.0 112.763 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -157.98 -59.83 0.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.594 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.441 ' O ' ' HD2' ' A' ' 57' ' ' HIS . 5.2 p -84.08 -22.93 31.0 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.332 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -87.87 95.61 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.8 pt -98.85 167.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 0.0 111.855 -170.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -112.73 124.63 69.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.578 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 76.3 m -94.65 151.06 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -124.4 160.78 27.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.25 -156.27 15.67 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.47 145.08 41.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.48 109.35 0.48 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.939 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.62 -10.59 16.28 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.414 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -97.75 112.02 24.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.119 0.485 . . . . 0.0 110.129 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -102.33 20.5 16.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.976 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.3 m -76.92 1.77 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.674 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -156.66 93.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 34.4 m -122.31 133.25 54.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.953 0.406 . . . . 0.0 109.979 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -119.16 168.06 11.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.084 0.469 . . . . 0.0 111.22 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -62.6 125.33 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.362 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.3 t -65.38 121.57 15.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.403 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 11.7 tpt180 -118.68 31.12 6.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.365 0.602 . . . . 0.0 109.83 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -103.72 140.24 37.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.246 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.24 -33.51 67.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.199 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.1 ptp -107.57 136.86 46.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.1 t -146.21 112.38 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -107.2 147.21 30.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.718 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -72.09 119.85 16.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.423 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.425 HD11 ' HH2' ' A' ' 71' ' ' TRP . 26.8 tp -68.1 116.31 8.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.632 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -115.81 150.34 18.66 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.759 -175.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.672 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.7 tp -132.27 123.06 26.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 90.7 m -109.54 112.3 24.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 60.0 m -96.18 146.11 24.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.2 116.44 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 111.311 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.993 175.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.806 0.336 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.46 74.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.183 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 29' ' ' TYR . 81.2 p -117.82 157.32 26.82 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.52 24.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 111.963 -177.444 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' SER . 58.7 m-85 -119.78 -2.69 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.047 172.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 58.6 m-20 -89.94 141.53 28.18 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.161 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 13.6 Cg_exo -69.59 -17.84 38.13 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.826 2.35 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.04 -7.69 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.12 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 80.4 t80 -80.76 118.95 22.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.0 0.428 . . . . 0.0 110.846 -176.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -114.08 133.55 55.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.108 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 163.31 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.906 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.5 ptp180 -142.23 149.2 39.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.007 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 130' ' ' LEU . 95.0 mt -98.89 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 168.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 26.1 p -55.28 138.36 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -74.32 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.639 0.733 . . . . 0.0 111.638 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 m -75.02 -52.52 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.088 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.33 -43.13 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.768 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -155.66 176.97 11.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.062 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -74.06 -19.12 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.85 0.357 . . . . 0.0 110.418 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.0 t -117.06 25.93 10.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 109.722 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -158.79 102.03 1.66 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.062 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.91 -158.83 29.85 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.535 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 33.4 mt-30 -79.28 132.33 36.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -76.37 124.77 28.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.143 0.496 . . . . 0.0 111.272 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -122.59 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.72 153.21 22.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.712 0.291 . . . . 0.0 111.347 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -94.64 98.86 11.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD11 HD13 ' A' ' 105' ' ' ILE . 81.1 mt -90.26 -172.81 3.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.954 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.65 -40.96 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 111.145 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.5 -10.5 58.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.417 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.27 -153.24 17.99 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.875 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -72.73 133.37 44.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 137.96 27.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.748 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.8 mtp -82.44 159.05 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.334 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG21 ' HE2' ' A' ' 114' ' ' PHE . 37.4 t -110.85 136.34 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.728 0.299 . . . . 0.0 110.407 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.2 t -95.94 141.64 29.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -76.94 45.15 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.855 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -136.91 33.73 2.64 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -105.22 159.48 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.564 -174.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 58.4 28.3 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.645 174.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.34 18.4 71.41 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.955 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -97.89 134.77 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -74.36 161.92 29.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.693 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.0 m -74.48 58.17 0.75 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.337 0.589 . . . . 0.0 111.752 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -137.39 151.26 48.36 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.15 98.55 0.14 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.144 0.277 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -66.21 132.21 47.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 23.0 mt-10 -89.97 52.43 2.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.491 0.663 . . . . 0.0 110.755 -168.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 13.0 m-20 -135.49 53.71 9.14 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.87 175.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 6.1 Cg_exo -74.91 -23.53 13.91 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.788 2.325 . . . . 0.0 112.537 -171.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.671 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 8.2 m -61.9 -17.34 56.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.061 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.56 -19.13 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.69 0.281 . . . . 0.0 111.264 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.47 17.68 21.0 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.283 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 p -55.96 -37.28 68.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.055 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -59.3 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.388 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.12 -52.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 31.3 m -57.34 -41.37 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.442 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.63 -40.82 96.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.478 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.756 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.5 mmp_? -81.74 -4.83 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.656 -0.418 . . . . 0.0 112.08 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.63 11.17 37.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.534 168.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.7 t30 63.27 33.93 13.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.452 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.58 168.06 9.75 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.751 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.89 -134.06 3.39 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.68 153.07 83.33 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.69 0.281 . . . . 0.0 110.871 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.671 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 6.2 Cg_exo -75.51 132.41 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.96 2.44 . . . . 0.0 111.672 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.13 -52.49 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.132 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -142.29 147.43 36.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.3 tt -144.63 119.76 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 171.57 -137.38 4.31 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.078 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.07 121.12 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.702 2.268 . . . . 0.0 111.787 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 32.9 t80 -138.03 117.31 12.72 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.561 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 97' ' ' LYS . 6.0 tt 70.61 141.41 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.9 0.75 . . . . 0.0 110.275 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' N ' HD23 ' A' ' 96' ' ' LEU . 49.9 mtmt -117.55 87.1 2.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.953 -0.467 . . . . 0.0 111.496 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.7 t80 50.55 62.73 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.219 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -125.03 85.0 58.44 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.866 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.72 53.26 2.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.497 2.798 . . . . 0.0 112.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -143.73 -51.18 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.538 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.1 m -79.66 -7.07 58.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.2 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 p -106.99 143.0 35.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.736 HD13 HD11 ' A' ' 52' ' ' LEU . 30.8 pt -113.15 157.99 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.463 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -118.3 119.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -95.78 147.98 23.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -126.36 143.7 51.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 114.72 -143.09 17.95 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.24 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -70.82 128.86 37.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 111.606 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.95 111.9 0.84 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.862 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.64 21.44 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.614 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.3 t -92.35 122.52 34.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.039 0.447 . . . . 0.0 110.463 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.9 m-85 -106.53 22.71 15.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.393 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m -94.36 2.87 55.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.694 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -146.52 77.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.5 m -130.61 143.26 50.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.335 -177.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -119.88 160.56 22.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.152 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.55 136.31 55.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 t -57.48 97.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.534 0.521 . . . . 0.0 111.438 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 6.1 tpt180 -111.15 21.71 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 109.401 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -94.71 172.76 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.343 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.19 -59.84 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.339 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.9 ptp -118.12 160.14 22.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.5 t -146.47 149.3 33.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.149 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -132.01 140.44 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.402 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 13.4 m -71.59 125.45 27.12 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 123.225 0.328 . . . . 0.0 110.636 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.0 tp -73.14 119.08 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.248 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -110.9 138.17 14.78 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.761 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.723 HD13 ' HG ' ' A' ' 92' ' ' LEU . 64.1 tp -132.57 128.02 36.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.1 m -116.57 120.13 37.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.0 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -116.36 154.2 30.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.02 89.96 0.31 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.806 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.251 1.147 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 172.061 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' ' OG ' ' A' ' 115' ' ' SER . 71.7 mtm180 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.0 mt -130.03 60.06 1.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.126 0.489 . . . . 0.0 110.136 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 3.5 m -89.79 154.8 19.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.24 16.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.681 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.5 m-85 -107.0 -3.31 20.23 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.389 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -95.69 139.36 21.86 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.756 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -8.62 21.14 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.982 2.454 . . . . 0.0 111.868 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.79 -12.32 51.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.88 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.12 127.06 32.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.115 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -118.97 128.38 54.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.813 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.34 164.21 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.662 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -145.67 143.72 29.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.295 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.525 ' H ' HD21 ' A' ' 84' ' ' LEU . 91.0 mt -98.06 127.29 43.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.627 ' HB ' ' NH1' ' A' ' 39' ' ' ARG . 75.8 p -58.88 147.38 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.473 0.483 . . . . 0.0 111.463 -175.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.627 ' NH1' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.16 52.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.456 179.245 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -70.3 -70.09 0.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.218 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -119.72 -38.86 2.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.996 0.427 . . . . 0.0 111.055 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 45.7 t -136.89 156.54 48.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.239 -177.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -60.44 -21.91 62.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.116 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 92.9 m -131.6 40.69 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 110.177 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.92 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 44.0 tt0 -152.85 100.74 2.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.536 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.98 -158.87 24.16 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.216 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.78 142.9 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 tp -88.68 108.65 19.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.826 0.346 . . . . 0.0 110.971 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 51.6 mt-10 -103.0 128.84 49.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.19 148.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.837 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -93.8 105.46 17.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.969 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.97 -158.75 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.286 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.0 -38.26 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.63 4.65 53.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 111.408 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.43 -147.53 18.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.118 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -80.98 130.9 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.818 0.342 . . . . 0.0 110.605 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.66 144.19 32.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.424 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.0 mtp -79.95 147.26 31.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.393 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.17 133.53 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.4 t -92.21 134.08 35.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -59.27 -21.7 60.03 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.269 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -87.82 68.69 9.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.496 0.665 . . . . 0.0 109.839 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.0 m -127.32 158.87 36.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.08 18.65 9.21 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.541 0.526 . . . . 0.0 112.301 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.71 96.54 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.435 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -108.78 150.19 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.995 0.397 . . . . 0.0 110.322 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -55.92 132.11 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.4 t -77.55 51.78 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.245 -172.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 mtpp -124.56 -92.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.647 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 54.0 mt-30 -154.3 121.38 5.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -76.86 128.66 34.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.78 46.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.806 0.812 . . . . 0.0 110.699 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -148.06 64.15 7.98 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.528 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.99 -9.86 8.46 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.965 2.443 . . . . 0.0 113.784 -168.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.5 m -72.12 -6.39 42.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.13 -175.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.72 -23.26 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.035 0.445 . . . . 0.0 110.449 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.57 25.64 3.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 p -57.94 -43.78 86.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.888 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.681 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 29.4 mtpp -67.83 -17.02 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.74 -53.46 20.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.4 m -62.49 -38.25 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 79' ' ' LYS . 33.6 tt0 -57.78 -45.55 85.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.693 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.688 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.525 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.99 8.68 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.593 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.8 t30 63.65 49.26 3.06 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.045 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m -132.69 173.7 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.472 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.58 -167.82 29.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.74 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.2 155.57 90.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 111.681 -174.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 17.7 Cg_exo -65.32 121.6 9.08 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.257 2.638 . . . . 0.0 112.715 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.37 -51.27 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 p -145.37 149.08 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.709 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 130' ' ' LEU . 67.8 tp -141.95 135.79 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.647 ' HA3' ' HG2' ' A' ' 70' ' ' GLN . . . 167.05 -139.36 5.69 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.954 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 61.3 Cg_endo -93.9 126.57 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.96 2.44 . . . . 0.0 112.546 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 57.6 t80 -139.76 116.15 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.9 tp 57.97 85.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.853 0.721 . . . . 0.0 111.234 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 97' ' ' LYS . 48.9 mtmt -65.11 96.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 -28.13 68.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.43 71.03 0.55 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.363 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m -149.45 99.66 3.38 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.588 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.43 -19.39 64.14 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.211 2.607 . . . . 0.0 113.078 -174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 28.6 tt0 -84.33 -36.43 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.908 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.1 m -83.94 -17.09 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.066 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 p -111.8 150.35 30.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.903 0.383 . . . . 0.0 110.686 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 58' ' ' MET . 25.3 pt -123.06 157.34 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.16 127.09 73.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.452 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -101.1 145.87 28.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.967 0.413 . . . . 0.0 111.522 -176.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -126.04 149.52 48.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.648 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.04 -143.97 16.5 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.23 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -77.13 136.96 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.896 0.379 . . . . 0.0 110.782 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -55.51 112.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.269 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.39 -5.3 38.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.592 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.1 t -101.49 118.41 36.9 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.483 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -98.41 32.18 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.557 0.694 . . . . 0.0 109.505 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 25' ' ' ARG . 12.9 m -78.89 -18.95 53.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.076 -177.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -144.63 88.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.314 0.578 . . . . 0.0 110.278 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.2 m -124.33 154.98 39.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.028 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 m -136.68 175.41 9.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.608 0.242 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.457 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 56.3 t-80 -58.07 139.15 55.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -68.74 95.78 0.69 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.409 0.623 . . . . 0.0 110.032 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -94.05 16.01 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.659 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 42.0 t-20 -116.13 128.59 55.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.96 -15.79 56.55 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.659 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.4 ptp -93.16 35.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.751 0.786 . . . . 0.0 109.964 177.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.46 152.18 43.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.08 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -134.94 135.21 41.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.99 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -68.86 122.74 19.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 93' ' ' GLY . 34.6 tp -72.02 125.05 26.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.079 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.519 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -119.24 138.37 13.39 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.865 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 92' ' ' LEU . 61.8 tp -125.58 129.39 49.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.8 m -110.34 106.94 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.046 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.5 m -93.16 148.89 21.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.96 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.98 101.11 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 110.285 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.225 177.034 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -113.31 86.98 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.359 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 7.9 m -95.43 153.75 17.54 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 12.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -102.52 -12.59 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.087 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -78.7 148.03 72.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.226 0.536 . . . . 0.0 111.273 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.505 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 58.7 Cg_endo -71.62 -9.07 24.42 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.521 2.814 . . . . 0.0 112.823 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.74 6.6 39.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -80.15 135.71 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.027 0.441 . . . . 0.0 111.1 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -134.47 131.7 38.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.114 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.5 160.28 39.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -142.7 166.51 24.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.591 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 90.2 mt -112.91 140.55 47.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.8 p -67.96 168.55 11.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.414 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.759 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -84.62 53.15 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.938 -172.008 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -74.1 -71.08 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.759 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -111.19 -54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 109.741 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 t -150.67 -170.84 3.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.006 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -76.78 -25.84 53.83 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.313 -175.248 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.3 m -101.22 18.09 20.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.96 108.25 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.966 0.412 . . . . 0.0 111.342 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.81 -162.85 35.24 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.776 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 2.2 mp0 -76.69 145.53 38.68 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.88 115.93 23.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -111.61 123.72 50.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.508 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.56 153.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.222 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -93.3 112.5 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.375 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD11 HD13 ' A' ' 105' ' ' ILE . 80.7 mt -111.63 -170.42 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.2 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -51.34 -47.46 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -84.75 1.66 45.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.89 -143.79 17.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.578 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -78.86 134.71 36.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.966 0.412 . . . . 0.0 111.178 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.38 135.37 23.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.778 176.786 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 105' ' ' ILE . 61.5 mtp -74.77 150.32 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.518 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.33 134.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.836 0.35 . . . . 0.0 110.501 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.8 t -92.79 147.09 23.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.272 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 94' ' ' PRO . 16.4 m -81.29 32.75 0.34 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 7.4 tp60 -131.53 31.27 4.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.734 0.778 . . . . 0.0 108.964 174.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -101.05 155.06 18.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.793 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 59.05 27.44 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.766 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 19.02 76.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.886 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -101.03 146.35 27.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.005 0.431 . . . . 0.0 110.432 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.6 p -110.35 -165.87 1.04 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 t -74.55 70.96 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.175 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.83 149.56 51.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.224 -179.097 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.54 85.25 2.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -65.92 163.55 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -86.05 49.95 1.88 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.845 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -161.18 80.08 2.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.234 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.84 -16.37 18.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 111.268 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 3.7 p -69.42 -3.35 14.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.104 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -54.46 -31.26 55.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.598 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.27 29.7 7.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.774 0.321 . . . . 0.0 111.635 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -58.19 -37.57 75.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.283 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.749 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 10.8 mmpt? -69.87 -30.0 67.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.306 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.05 -45.47 90.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -37.99 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.273 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.05 -40.11 95.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.505 ' NH2' ' HA ' ' A' ' 31' ' ' PRO . 40.6 mmt180 -63.54 -31.85 73.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.3 mt -92.84 -0.63 57.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.109 0.48 . . . . 0.0 110.958 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 57.91 44.99 19.0 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.417 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.59 -175.66 2.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.776 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.55 -166.94 39.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.551 ' OD1' ' HD2' ' A' ' 89' ' ' PRO . 34.7 t70 -66.23 143.24 98.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 122.642 0.377 . . . . 0.0 110.723 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.551 ' HD2' ' OD1' ' A' ' 88' ' ' ASP . 31.9 Cg_endo -67.93 116.56 4.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.766 2.31 . . . . 0.0 112.282 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 133' ' ' LEU . 3.7 tt -79.02 -50.19 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.925 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 p -144.09 143.05 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.087 -174.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 93' ' ' GLY . 6.0 tt -137.79 128.95 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.419 ' N ' HD23 ' A' ' 92' ' ' LEU . . . 157.91 -162.52 32.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.014 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 61' ' ' SER . 21.6 Cg_exo -65.23 97.12 0.29 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.619 2.212 . . . . 0.0 110.839 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -91.47 -29.12 17.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.246 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 tp -146.61 157.17 43.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -128.26 74.89 1.58 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -8.06 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.585 0.707 . . . . 0.0 111.554 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.523 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 20.7 t80 55.35 45.21 25.95 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.483 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.3 m -114.03 87.3 12.68 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.725 0.297 . . . . 0.0 111.214 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 2.0 Cg_endo -82.18 50.44 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.171 2.581 . . . . 0.0 111.492 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -128.73 -58.6 1.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.051 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m -87.24 12.77 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 p -112.4 148.72 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.506 . . . . 0.0 111.464 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 52' ' ' LEU . 31.7 pt -121.04 154.05 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.1 131.36 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.5 t -118.97 156.31 29.81 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.101 -173.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -129.07 160.51 32.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.779 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.0 -156.39 15.61 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.622 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -68.41 136.92 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.227 0.211 . . . . 0.0 110.463 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.73 114.27 1.99 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.039 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.64 -8.51 32.23 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.633 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 5.9 t -102.69 115.37 30.46 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.977 0.418 . . . . 0.0 110.502 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -93.47 41.69 1.09 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.625 0.726 . . . . 0.0 109.439 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -81.7 -43.61 18.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.515 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -119.26 75.49 1.05 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.209 0.528 . . . . 0.0 110.157 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.7 m -108.64 158.81 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.061 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.6 m -147.53 168.2 22.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.447 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -62.38 132.31 52.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.0 t -74.08 100.82 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.216 0.531 . . . . 0.0 110.911 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -103.97 45.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.92 0.867 . . . . 0.0 108.886 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -116.9 125.28 51.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.024 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.19 -27.86 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.895 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.0 ptp -99.43 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 110.249 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.88 105.5 9.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.765 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -94.82 139.26 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -75.91 122.08 23.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.75 137.33 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.87 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -137.52 162.58 25.46 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.721 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.3 tp -131.72 139.69 49.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.6 m -119.93 104.8 10.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.638 0.256 . . . . 0.0 110.695 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.8 m -94.63 137.01 34.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.428 ' CD2' HD12 ' A' ' 90' ' ' LEU . 89.0 mt -60.8 121.03 11.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.047 173.115 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.495 HH11 ' HG3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.43 HD12 HD22 ' A' ' 52' ' ' LEU . 61.7 mt -133.02 100.22 4.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.503 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -101.54 146.54 27.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -68.48 1.24 3.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.932 -178.516 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.63 -5.49 24.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.832 0.349 . . . . 0.0 110.127 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -71.03 142.52 87.71 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.04 -18.87 57.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -124.3 33.27 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.555 0.693 . . . . 0.0 110.573 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 86.0 t80 -76.68 125.89 30.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -109.95 121.04 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.028 0.442 . . . . 0.0 111.259 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.74 163.11 38.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.398 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 170.89 21.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.379 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 44' ' ' CYS . 49.1 mt -117.33 142.41 47.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.959 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 p -63.81 167.43 6.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.669 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -76.26 53.09 0.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.968 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 m -81.78 -24.15 36.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -170.15 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -145.83 170.66 16.1 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.592 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -76.19 -3.08 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -171.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.632 ' HA ' HD12 ' A' ' 37' ' ' LEU . 89.7 m -118.23 24.24 11.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 111.632 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 18.9 pt20 -161.05 120.6 2.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.301 0.572 . . . . 0.0 110.497 172.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.65 -151.61 23.25 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.024 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.01 134.97 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 37' ' ' LEU . 51.5 tp -80.88 118.87 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.109 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -112.38 134.1 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.595 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.47 148.12 19.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -97.87 101.36 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.136 0.493 . . . . 0.0 110.828 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 26' ' ' LEU . 53.4 mt -99.18 -177.24 3.55 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.44 -27.26 68.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.228 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -79.34 -4.48 51.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.713 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.5 -167.45 12.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.886 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -76.2 120.3 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -136.03 140.7 44.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.109 0.48 . . . . 0.0 111.483 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtp -72.88 145.4 46.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.211 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.19 129.37 43.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 120.758 0.313 . . . . 0.0 110.185 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.411 ' HB3' HG12 ' A' ' 106' ' ' ILE . 9.8 t -87.54 141.29 28.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -62.11 -15.14 43.31 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -91.84 31.5 1.22 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -88.98 155.0 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.852 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 55.53 22.78 5.4 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.416 0.687 . . . . 0.0 112.037 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.61 32.4 78.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.482 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.539 ' HD2' HD13 ' A' ' 111' ' ' LEU . 3.1 mmp_? -78.54 162.46 26.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -79.24 131.69 36.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.887 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.1 t -77.63 71.63 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.299 0.571 . . . . 0.0 110.253 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -154.04 174.48 14.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.64 112.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -73.05 136.79 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.145 0.498 . . . . 0.0 110.443 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -73.62 -25.54 60.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.572 -170.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 78.99 70.93 Favored Pre-proline 0 N--CA 1.464 0.252 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.25 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 15.6 Cg_exo -70.92 -13.58 31.84 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 111.668 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.544 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.4 m -61.0 -27.89 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.791 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -66.22 -8.85 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.761 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.78 16.54 26.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.02 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 13.0 p -57.16 -33.39 67.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.905 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -52.68 -36.41 57.08 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.45 -48.53 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 m -63.15 -36.01 82.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 78' ' ' SER . 48.8 mt-30 -64.19 -43.4 95.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.953 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -67.73 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -90.79 2.62 55.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.73 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 59.54 42.49 17.43 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.829 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 92.4 m -126.01 171.31 10.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -75.66 -171.34 30.37 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.491 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.1 155.33 16.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.59 0.756 . . . . 0.0 111.969 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.1 Cg_endo -81.99 120.6 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.182 2.588 . . . . 0.0 112.257 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.477 HD11 HD23 ' A' ' 133' ' ' LEU . 79.5 mt -88.0 -44.94 10.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 -177.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -134.39 149.5 50.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.1 tt -156.77 123.47 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.6 -162.4 28.48 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.611 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -64.8 87.16 0.17 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.712 2.274 . . . . 0.0 111.532 176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 96' ' ' LEU . 11.7 t80 -96.73 -26.51 15.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 -176.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 95' ' ' PHE . 5.8 mp -135.13 169.66 17.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.719 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -132.82 77.99 1.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -71.38 -36.45 71.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.466 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 56.36 69.78 0.71 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.365 0.602 . . . . 0.0 110.641 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.6 m -145.23 85.33 8.12 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.79 44.99 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.214 2.609 . . . . 0.0 113.281 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -131.47 -52.74 1.01 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.7 m -76.26 -29.04 57.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.602 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 130.39 35.11 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.801 0.334 . . . . 0.0 110.994 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.54 150.22 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.705 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 60' ' ' CYS . 44.7 mt -111.13 115.06 48.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.2 t -100.52 154.2 18.74 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.841 -174.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -123.42 156.27 35.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.43 -148.98 16.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.872 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.96 146.91 24.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 66' ' ' ARG . 55.3 tp -52.97 112.43 0.85 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.791 0.436 . . . . 0.0 111.626 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.21 -8.3 52.92 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.62 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 t -104.78 106.88 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.971 0.415 . . . . 0.0 110.293 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.29 60.96 6.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.667 0.746 . . . . 0.0 109.301 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.1 m -71.44 -55.12 8.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.877 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -136.42 104.4 5.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.807 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.4 m -106.71 144.48 33.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.187 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 m -117.39 139.74 50.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -67.41 122.79 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -50.15 113.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.722 0.639 . . . . 0.0 112.367 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -87.47 28.75 0.94 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.547 0.689 . . . . 0.0 109.466 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -132.04 136.57 47.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.502 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.19 -27.24 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.832 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.02 150.62 24.09 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.552 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.6 t -162.83 148.66 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.119 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -108.92 131.57 54.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.776 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -75.96 121.05 22.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.02 106.47 4.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.955 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -96.86 125.29 8.42 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.781 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 59.4 tp -113.48 130.03 56.42 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.4 m -120.69 106.8 12.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.745 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.4 m -95.53 159.01 15.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 90' ' ' LEU . 21.9 mt -63.85 89.39 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.124 0.488 . . . . 0.0 110.663 175.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.925 178.932 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 115' ' ' SER . 29.4 mtm-85 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.978 0.418 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 114' ' ' PHE . 93.6 mt -134.27 100.94 4.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.3 m -84.48 146.64 27.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.607 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -76.83 15.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.663 0.745 . . . . 0.0 110.404 176.552 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 88.5 t80 -106.54 -9.06 16.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.094 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.49 139.48 86.67 Favored Pre-proline 0 CA--C 1.518 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.449 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.65 -56.84 2.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.235 2.623 . . . . 0.0 113.187 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 36.36 2.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.917 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.8 t80 -74.77 115.56 14.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -100.31 132.91 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -148.76 154.5 39.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.654 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -130.7 153.82 48.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 0.0 110.12 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 130' ' ' LEU . 79.0 mt -111.12 126.03 54.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 68.4 p -72.51 170.59 14.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.275 -166.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -75.55 23.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.363 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' THR . 31.2 m -73.63 -28.61 61.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.862 0.363 . . . . 0.0 111.008 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 2.1 t-20 -144.79 -58.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.52 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 8.3 t -160.97 163.2 31.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -64.15 -11.26 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 23.0 t -117.66 15.49 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.407 . . . . 0.0 110.869 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 14.3 pt20 -167.6 112.91 0.71 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.311 0.577 . . . . 0.0 110.927 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.4 -152.19 11.76 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG2' HD13 ' A' ' 96' ' ' LEU . 37.4 mt-30 -71.6 133.56 45.82 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -86.05 109.64 18.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.941 0.4 . . . . 0.0 110.749 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -113.05 121.49 44.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 175.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.54 153.9 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.121 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -87.87 115.7 25.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.247 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD11 HD13 ' A' ' 105' ' ' ILE . 89.1 mt -112.39 -173.21 2.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.601 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -50.43 -50.17 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.267 0.354 . . . . 0.0 111.676 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.801 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 5.3 m-20 -69.33 -39.67 78.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 0.0 110.801 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.4 -150.37 22.46 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.591 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 91.0 m95 -71.94 135.53 46.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.12 0.486 . . . . 0.0 111.312 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.801 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 69.9 m80 -138.94 141.21 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.364 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.536 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 67.3 mtp -80.34 137.2 36.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.194 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.83 125.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.458 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.88 135.78 33.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.6 m -61.95 -21.57 64.91 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -172.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.59 32.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.7 0.286 . . . . 0.0 111.644 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 m -92.89 154.44 18.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.64 0.257 . . . . 0.0 111.049 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 57.43 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.42 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.54 39.16 0.7 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.481 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HD3' HD11 ' A' ' 111' ' ' LEU . 10.2 mmm180 -97.55 129.04 44.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.215 -177.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.683 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 7.0 m -79.07 162.77 25.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.812 176.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.3 63.1 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 109.667 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 64.5 pttt -156.27 170.98 21.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.041 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.6 HE22 ' HA ' ' A' ' 91' ' ' SER . 5.2 tp60 -69.31 110.12 4.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -72.78 143.06 48.07 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.09 -2.8 11.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.81 98.27 4.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 0.0 111.097 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -94.15 0.63 3.05 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.158 2.572 . . . . 0.0 112.092 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.2 m -63.43 -19.8 65.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.196 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -55.16 -30.73 60.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.725 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.05 22.17 3.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.495 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 20.9 t -54.26 -49.7 68.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.61 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmmm -63.23 -26.29 68.72 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.48 -52.08 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -57.0 -41.97 79.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.676 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 78' ' ' SER . 84.1 mt-30 -67.59 -39.67 84.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -66.62 -23.79 66.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 111.072 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.57 7.94 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 61.06 41.25 14.09 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.442 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.6 m -112.87 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.403 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.46 -140.07 3.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.374 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.19 159.71 64.46 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.543 0.211 . . . . 0.0 110.494 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.8 Cg_exo -73.71 134.43 20.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.996 2.464 . . . . 0.0 112.341 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.72 -54.67 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.6 ' HA ' HE22 ' A' ' 70' ' ' GLN . 15.7 p -138.19 148.34 44.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.798 0.333 . . . . 0.0 110.824 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 130' ' ' LEU . 44.1 tp -148.61 86.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.45 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.54 -163.15 18.32 Favored Glycine 0 C--O 1.225 -0.406 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 92.49 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.318 2.012 . . . . 0.0 112.261 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.573 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.3 t80 -87.34 -25.63 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.2 mp -128.42 138.98 52.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.724 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -90.89 24.21 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.859 0.837 . . . . 0.0 109.512 178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -79.3 134.82 36.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.511 ' HE2' ' HA ' ' A' ' 124' ' ' MET . 19.5 m-85 -107.84 121.12 44.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.611 178.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 m -132.33 83.69 54.22 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.6 65.52 5.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.183 2.589 . . . . 0.0 112.443 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -165.04 -64.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.452 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 p -87.05 -22.07 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.462 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 20.1 m -77.6 124.23 27.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 110.274 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 42.8 pt -113.66 162.94 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.082 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.8 tt -128.5 130.92 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 174.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.75 155.75 34.6 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.23 -172.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -134.93 161.62 34.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.935 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.53 -125.84 4.52 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -98.77 135.41 40.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.495 HD11 ' HD3' ' A' ' 66' ' ' ARG . 56.7 tp -59.56 103.27 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 110.743 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 125.58 -14.99 7.18 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.176 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 21.1 t -115.91 123.08 47.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.049 0.452 . . . . 0.0 111.126 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 91.3 m-85 -82.3 63.23 6.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 4.8 m -64.73 -60.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.701 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -138.65 102.62 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.0 150.84 33.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.433 -173.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -137.69 177.03 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -85.31 136.76 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.5 t -59.58 103.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 121' ' ' ARG . 47.3 mtm180 -93.44 35.42 1.1 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.368 0.604 . . . . 0.0 110.111 174.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -115.24 165.46 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.3 -44.22 63.05 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.501 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 99' ' ' TYR . 25.4 ptt? -93.77 156.48 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.502 -174.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 51.6 t -177.34 130.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -120.22 136.37 54.67 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.453 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 49.5 m -66.3 118.86 10.57 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.842 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.5 tt -76.07 130.93 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.765 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -116.54 130.85 9.2 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.735 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 92' ' ' LEU . 53.6 tp -107.61 122.23 46.26 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.9 m -110.86 108.84 18.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.818 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.723 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.7 m -98.43 157.32 16.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.01 93.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.102 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 41.9 tt0 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.254 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.131 0.491 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -104.27 55.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 172.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -120.3 156.23 31.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.599 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CD1' ' HD1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -73.68 12.44 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.645 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.436 ' HD1' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-85 -110.11 -0.85 17.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.001 0.429 . . . . 0.0 110.181 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.9 125.69 54.28 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.791 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.16 -12.59 33.28 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.018 2.478 . . . . 0.0 111.987 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.97 -7.96 56.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -87.73 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.368 . . . . 0.0 110.586 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -120.15 143.87 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.29 170.62 21.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.386 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -147.29 172.33 14.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 44' ' ' CYS . 96.5 mt -115.55 132.79 56.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -58.28 149.92 23.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.583 -175.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -73.73 60.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.784 0.802 . . . . 0.0 111.058 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -87.23 -54.89 4.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.89 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.43 -49.6 2.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -159.97 -179.16 7.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -66.86 -30.41 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 111.598 -175.513 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 97.0 m -115.54 31.18 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.022 0.439 . . . . 0.0 111.096 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -157.22 100.74 1.86 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 0.0 110.217 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.72 -145.58 6.86 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.581 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.19 139.36 39.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.36 117.12 11.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 111.554 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -120.96 121.43 38.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -108.76 152.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -171.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -97.88 95.37 7.47 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.745 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.03 -170.95 2.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -56.33 -35.96 68.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.208 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.81 -31.29 22.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.546 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.25 -147.29 17.96 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.87 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -84.82 125.39 32.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 0.0 111.467 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -135.75 140.96 44.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 99' ' ' TYR . 78.5 mtp -80.58 141.59 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.31 124.58 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 t -88.17 135.74 33.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -70.58 -8.9 55.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -74.75 -9.81 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.056 0.455 . . . . 0.0 110.756 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -62.43 155.71 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.428 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 61.99 22.63 13.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.999 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.61 42.86 97.15 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.464 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . 22.2 mmt180 -111.54 138.87 47.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 111.249 -177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -83.78 168.06 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 22.9 t -78.67 66.7 4.24 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.486 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -139.56 158.55 43.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.761 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 9.8 tt0 -83.62 140.32 32.27 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 66' ' ' ARG . 15.9 m95 -83.38 153.2 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -173.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.77 -25.48 67.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.756 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -124.83 97.82 37.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.84 -14.25 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.261 1.974 . . . . 0.0 112.186 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -73.52 1.15 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.953 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.08 -22.45 66.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 110.67 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.93 18.43 22.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -57.87 -37.33 73.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -59.35 -37.58 78.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.39 -51.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 60.8 m -61.21 -42.08 97.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.82 -35.93 82.05 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.726 -0.215 . . . . 0.0 110.52 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -66.91 -27.15 67.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.018 0.437 . . . . 0.0 110.062 177.464 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.84 2.91 50.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 68.76 43.75 1.22 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.628 0.727 . . . . 0.0 110.68 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.5 m -133.79 159.24 41.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.783 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.37 -159.49 28.02 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.934 -174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 29.5 t70 -56.03 140.54 69.69 Favored Pre-proline 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 0.0 112.2 -174.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 18.3 Cg_exo -63.83 109.18 1.03 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.386 2.724 . . . . 0.0 112.146 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.23 -32.25 70.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.62 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -148.24 143.31 26.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.245 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 6.0 tt -152.22 117.35 5.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.53 -173.6 37.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.509 -0.853 . . . . 0.0 111.84 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 76.5 Cg_exo -52.64 122.2 10.49 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.945 2.43 . . . . 0.0 112.419 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 89.4 t80 -135.82 99.08 4.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.608 -177.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.8 mt 64.58 -175.95 0.17 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.21 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -131.73 46.59 2.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.396 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -83.7 6.84 19.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.205 0.526 . . . . 0.0 110.162 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 31.1 p90 -53.66 129.16 32.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.306 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 103' ' ' SER . 24.3 m -82.14 111.0 23.89 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.25 -24.07 57.52 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.974 2.45 . . . . 0.0 113.225 -172.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.36 -19.19 28.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.3 . . . . 0.0 111.045 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.434 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 13.0 m -109.75 -6.1 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.671 -173.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 5.4 p -97.52 143.06 28.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.008 0.432 . . . . 0.0 110.804 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 pt -122.58 155.87 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 0.0 111.433 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 121' ' ' ARG . 49.9 mt -116.49 118.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.388 172.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 7.5 t -105.71 157.43 17.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -124.19 155.66 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.974 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.81 -140.52 14.79 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.82 145.74 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.16 108.13 0.34 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.79 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 28' ' ' TRP . . . 103.33 -3.24 47.03 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.925 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.2 t -102.2 113.1 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.958 0.409 . . . . 0.0 110.22 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.7 m-85 -92.68 49.66 1.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.176 0.513 . . . . 0.0 110.143 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -77.01 -30.67 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -148.84 97.21 2.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.888 0.375 . . . . 0.0 110.187 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.2 m -123.23 156.94 34.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -143.58 174.89 10.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -60.08 145.63 45.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -52.64 115.49 1.82 Allowed 'General case' 0 C--O 1.231 0.121 0 O-C-N 123.321 0.388 . . . . 0.0 110.401 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.502 ' H ' HD12 ' A' ' 106' ' ' ILE . 9.3 tpt180 -86.96 -5.58 59.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.249 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.57 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 10.0 t-20 -123.4 151.43 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.52 -51.12 31.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.57 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.3 ptp -78.82 130.83 36.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.283 0.563 . . . . 0.0 110.067 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.1 t -152.64 139.32 18.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.216 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -110.04 124.8 52.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.3 m -63.05 140.61 58.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.57 104.7 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -89.83 136.71 13.66 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.18 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 37' ' ' LEU . 56.5 tp -131.16 121.52 25.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 59.0 m -113.27 100.51 8.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.749 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.5 m -90.04 154.38 19.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 tt -75.16 81.03 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.83 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 10.0 pt-20 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.734 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.03 120.65 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.098 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.3 p -133.33 155.0 50.24 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 24.48 0.11 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 111.958 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.5 m-85 -123.59 8.15 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.632 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -93.41 128.5 42.27 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.5 -13.79 41.61 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.602 2.202 . . . . 0.0 112.696 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.91 3.66 49.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.903 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -75.98 129.37 36.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -112.22 135.97 52.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -154.88 162.53 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.903 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 44' ' ' CYS . 95.4 mt -110.78 146.3 36.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 60.2 p -63.38 158.42 20.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -75.12 55.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.9 m -80.39 -77.04 0.2 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.13 -17.04 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.746 0.308 . . . . 0.0 111.271 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 28.8 t -165.77 158.98 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.73 -16.85 64.34 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.436 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.2 m -118.13 31.93 6.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.419 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 48.0 tt0 -159.58 102.39 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.147 0.499 . . . . 0.0 110.508 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -157.77 30.12 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 85.5 mt-30 -82.78 140.97 32.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 54.1 tp -82.53 119.21 23.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.093 0.473 . . . . 0.0 111.177 -177.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 50.3 mt-10 -115.82 126.84 54.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.375 173.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 ' CZ ' ' A' ' 114' ' ' PHE . 35.4 m -115.85 150.28 17.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -93.19 104.45 16.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' ILE . 79.3 mt -92.84 -177.59 4.57 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -68.4 -17.29 64.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.094 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -15.66 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 111.203 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.02 -157.94 23.09 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -79.46 135.02 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.852 0.358 . . . . 0.0 110.705 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.54 136.58 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.617 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 70.8 mtp -77.04 151.21 35.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.6 132.21 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 0.0 110.365 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.9 135.54 36.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.5 m -62.33 -13.53 29.81 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -80.09 -3.3 48.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.989 0.423 . . . . 0.0 111.068 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -67.5 153.98 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 111.396 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 56.02 27.18 10.92 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.21 175.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.62 42.37 98.8 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.817 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -108.23 145.29 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.256 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 p -83.8 163.05 20.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.816 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -79.01 53.55 1.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.198 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -142.34 156.9 45.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.97 108.21 12.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.61 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 11.6 p90 -69.73 159.14 34.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.07 0.462 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -67.14 -16.03 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -165.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.31 94.02 16.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.203 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.945 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.7 Cg_exo -81.09 -4.94 12.8 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.369 2.713 . . . . 0.0 112.444 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.1 m -55.17 -24.91 29.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -62.29 -16.39 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.13 11.36 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.556 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -57.47 -35.03 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.822 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -68.3 -28.37 67.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.59 -48.37 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 m -58.15 -40.35 81.16 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.43 -48.54 76.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.692 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -75.81 -14.27 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 11.91 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 0.0 110.105 173.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.4 t30 64.98 51.82 1.65 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.679 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.483 ' SG ' ' HE3' ' A' ' 43' ' ' LYS . 95.4 m -143.09 177.94 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.335 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.73 -115.71 4.08 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.161 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.9 m-20 -81.95 152.17 68.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.433 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.2 Cg_endo -88.99 121.5 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.804 3.002 . . . . 0.0 111.942 177.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 133' ' ' LEU . 93.5 mt -78.46 -42.35 30.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.397 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.2 m -148.15 143.55 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.945 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -143.12 124.55 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.71 -128.96 1.85 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.05 139.8 3.78 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.582 2.188 . . . . 0.0 112.46 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.1 t80 -133.66 105.82 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.28 164.18 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.68 0.752 . . . . 0.0 111.412 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -125.11 71.65 1.2 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.244 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -78.5 -22.75 46.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.535 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.515 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 97.7 m-85 57.59 67.31 0.99 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.402 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -118.26 65.61 5.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 8.3 Cg_exo -71.37 -26.64 20.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.989 2.459 . . . . 0.0 112.429 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.83 -14.55 58.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.065 0.46 . . . . 0.0 110.638 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -102.45 -7.88 21.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.133 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.4 p -116.89 168.53 10.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.248 0.547 . . . . 0.0 111.406 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.614 HD13 HD11 ' A' ' 52' ' ' LEU . 24.9 pt -127.77 147.92 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.078 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -105.27 108.52 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.01 155.61 18.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.061 0.457 . . . . 0.0 110.971 -173.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -125.02 -179.55 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.157 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.92 -130.74 10.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.878 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -110.82 148.47 32.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.66 107.82 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.915 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.76 22.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.546 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 t -100.22 114.45 27.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.168 0.509 . . . . 0.0 110.334 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 91.3 m-85 -101.8 42.76 1.11 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.791 0.805 . . . . 0.0 109.0 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.3 m -103.92 14.99 29.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 -174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -170.98 79.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.183 0.516 . . . . 0.0 109.765 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.0 m -122.49 151.87 40.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.422 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 m -115.03 131.56 56.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.913 0.387 . . . . 0.0 111.231 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -71.78 111.78 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 101' ' ' PRO . 32.5 t -68.18 111.15 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.998 -173.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -96.54 15.27 22.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.95 176.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.437 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 7.6 t-20 -100.69 179.11 4.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.258 -173.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -115.66 49.93 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.154 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 24.9 ptt? -164.33 137.36 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.028 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 26.6 t 178.18 143.09 0.1 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.262 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -112.96 123.77 51.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 p -65.36 126.87 29.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.149 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 92' ' ' LEU . 8.9 tt -74.76 131.25 40.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -118.64 147.34 18.5 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.803 -176.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.732 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.4 tp -132.87 135.08 45.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.8 m -124.91 120.09 30.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.095 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.814 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 14.2 m -118.86 146.4 44.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 90' ' ' LEU . 50.3 mt -78.46 147.93 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.127 178.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 134' ' ' GLU . 5.1 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.626 170.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 52' ' ' LEU . 94.6 mt -94.44 111.81 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.944 0.402 . . . . 0.0 110.177 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -120.08 155.01 33.81 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 10.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.75 -6.1 18.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.583 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 12.6 m-20 -78.1 134.64 63.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 19.9 Cg_exo -67.04 -23.16 46.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.081 2.52 . . . . 0.0 112.078 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -101.54 14.96 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.952 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -72.51 108.53 5.63 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 24.2 mt-30 -97.99 117.84 33.23 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.62 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.16 155.54 42.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.838 HH11 HH21 ' A' ' 39' ' ' ARG . 10.4 ptp180 -150.15 152.62 34.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.963 0.411 . . . . 0.0 110.438 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.6 mt -97.26 139.92 32.52 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.2 p -57.83 140.42 51.83 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.342 0.401 . . . . 0.0 110.796 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.838 HH21 HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.64 63.07 4.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.108 -175.399 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.2 t -61.62 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -138.62 -54.61 0.61 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.488 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.4 m -91.82 124.85 36.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.466 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -69.14 -15.19 63.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.904 0.383 . . . . 0.0 111.053 -174.123 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.765 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 0.5 OUTLIER -109.53 28.72 8.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 54.0 tt0 -154.55 97.46 2.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.103 174.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.36 -167.71 34.2 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -73.58 143.62 46.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 tp -89.67 116.04 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.97 0.414 . . . . 0.0 111.396 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.44 127.34 56.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.259 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.24 151.33 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 80.7 t80 -94.67 105.33 17.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.913 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 4.7 mp -93.41 -179.38 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -62.63 -32.47 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.412 0.625 . . . . 0.0 109.637 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.34 -38.61 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.283 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.63 -164.15 29.07 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.292 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.85 128.59 35.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.76 0.28 . . . . 0.0 110.665 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -143.52 152.81 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.486 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 80.2 mtp -87.71 130.87 34.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.668 -176.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.6 t -87.95 129.89 38.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.89 0.376 . . . . 0.0 110.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -98.15 146.2 25.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 p -73.01 -16.01 61.52 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 53.3 tp60 -83.38 53.94 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -118.32 149.88 40.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.535 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 58.69 21.63 9.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.214 0.606 . . . . 0.0 112.358 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.74 71.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.807 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 10.5 mmt180 -78.51 151.06 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.268 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -95.13 161.41 14.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.71 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -75.01 57.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.233 0.54 . . . . 0.0 111.25 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.63 160.61 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 92.78 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.763 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.487 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 31.9 p90 -70.37 155.71 40.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -85.69 36.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.544 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 18.3 m-20 -136.54 62.41 42.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.735 0.303 . . . . 0.0 110.996 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 1.2 Cg_endo -83.94 -23.44 3.12 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.722 2.281 . . . . 0.0 112.695 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.0 m -59.24 -20.53 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.08 -15.33 62.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.694 0.283 . . . . 0.0 111.321 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.94 12.2 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.353 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -57.39 -31.03 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.901 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 7.5 mmpt? -62.08 -42.66 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.082 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.58 -43.7 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.7 m -59.01 -41.98 89.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.251 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -67.5 -33.96 76.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 45.4 mmt-85 -60.93 -30.64 70.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.133 0.492 . . . . 0.0 110.246 176.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.25 11.8 29.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.254 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 62.49 41.02 10.2 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.3 0.572 . . . . 0.0 111.04 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.7 m -113.95 170.73 8.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.298 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.16 -133.77 5.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.265 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.67 152.27 96.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.398 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 1.5 Cg_endo -80.24 117.79 3.54 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.12 2.546 . . . . 0.0 111.427 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.71 -47.62 16.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.611 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -138.08 143.33 40.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.539 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.45 -132.9 1.94 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.08 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.61 141.03 8.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.361 2.04 . . . . 0.0 112.181 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.073 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 53.5 t80 -120.12 83.92 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt 63.18 -167.78 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.414 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -112.86 115.5 28.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.08 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.2 m -96.94 -45.52 6.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.433 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 55.13 84.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.484 0.49 . . . . 0.0 111.076 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 m -153.06 78.28 5.97 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -74.17 33.41 0.35 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.046 2.497 . . . . 0.0 112.904 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -111.17 -37.35 5.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.161 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 m -117.03 -15.55 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.067 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 14.5 p -73.12 134.39 44.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.35 . . . . 0.0 111.741 -175.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.4 pt -135.31 160.8 40.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.156 0.503 . . . . 0.0 111.103 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.9 mt -125.78 131.47 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.897 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.5 t -108.21 155.24 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.979 -173.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.03 172.5 10.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.689 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.1 -83.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.327 -0.939 . . . . 0.0 113.171 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -154.85 140.41 17.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.589 0.233 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.97 108.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.257 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.5 -9.63 24.1 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.64 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 t -107.71 109.88 21.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.138 0.494 . . . . 0.0 110.39 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -93.15 48.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.2 p -85.53 -31.2 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.672 -176.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -144.4 93.77 2.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.115 0.483 . . . . 0.0 110.447 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.6 m -119.14 144.28 46.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.668 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.8 m -125.97 151.94 46.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.215 0.531 . . . . 0.0 111.022 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -89.08 100.37 13.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.539 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 t -81.01 109.42 15.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -80.41 65.92 5.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.414 0.626 . . . . 0.0 110.14 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.58 137.58 13.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.333 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.81 39.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -173.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.0 ptp -92.73 2.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.417 0.627 . . . . 0.0 109.409 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.0 t -109.28 146.15 34.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.998 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -101.01 134.77 43.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.187 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -57.68 141.8 47.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.73 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.6 tt -75.06 125.55 29.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.843 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 1.073 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.33 129.13 7.91 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.645 HD13 ' HG ' ' A' ' 92' ' ' LEU . 43.5 tp -110.64 130.56 55.54 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.3 m -116.29 108.27 15.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.065 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.765 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.1 m -114.77 155.11 27.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.439 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.59 90.78 0.57 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.218 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 6.0 pt-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.253 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.977 0.417 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.19 146.74 33.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -149.65 155.32 40.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.52 23.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.299 0.571 . . . . 0.0 110.469 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HA ' ' HG3' ' A' ' 79' ' ' LYS . 2.4 t80 -103.78 -19.43 14.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.8 135.19 43.13 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.046 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.93 -20.81 33.54 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.865 2.376 . . . . 0.0 112.373 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.66 4.58 53.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.456 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.83 112.87 20.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.6 mm-40 -77.66 110.14 12.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.42 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.327 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -153.8 160.03 42.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.408 . . . . 0.0 110.483 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.629 ' H ' HD21 ' A' ' 84' ' ' LEU . 96.4 mt -100.06 133.56 44.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 168.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -70.13 165.92 20.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 39' ' ' ARG . 37.1 mtp180 -62.38 -74.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.15 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t 60.39 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.524 0.515 . . . . 0.0 111.562 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -128.97 -50.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.384 0.611 . . . . 0.0 109.565 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -135.51 139.5 44.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.635 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.8 -15.99 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.123 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 60.7 m -104.86 18.64 21.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 0.0 110.083 173.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 42.7 tt0 -156.46 81.54 0.97 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.73 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.83 -155.93 7.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.012 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.418 HE21 ' HD2' ' A' ' 95' ' ' PHE . 10.7 mp0 -91.3 138.65 31.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 tp -81.89 114.33 20.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -107.58 134.28 50.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.1 m -127.89 152.86 36.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.5 t80 -91.86 114.36 26.87 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.204 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.1 mt -117.16 -160.18 0.76 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.49 -30.93 70.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.501 0.191 . . . . 0.0 111.4 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -98.97 11.72 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.64 -159.4 15.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.759 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.424 ' CZ2' ' HB3' ' A' ' 34' ' ' GLN . 85.7 m95 -83.43 117.36 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.605 0.238 . . . . 0.0 110.627 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -140.43 153.72 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.139 0.495 . . . . 0.0 111.466 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.449 ' O ' ' HA ' ' A' ' 104' ' ' SER . 70.5 mtp -76.46 131.25 38.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.191 -175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.77 133.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB3' HG12 ' A' ' 106' ' ' ILE . 8.4 t -93.14 141.91 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.1 p -74.05 -1.67 21.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -89.9 15.58 9.66 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.692 0.758 . . . . 0.0 110.355 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -75.9 153.57 36.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 61.36 25.37 15.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.677 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.5 24.74 69.6 Favored Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.376 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -91.81 161.09 15.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.923 0.392 . . . . 0.0 110.287 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 p -77.09 145.75 37.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.996 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -75.58 55.48 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.697 0.761 . . . . 0.0 110.266 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 8.2 mmpt? -142.65 175.59 9.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 2.2 pm0 -94.45 118.15 31.2 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.96 174.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -83.57 -168.65 2.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.1 -49.6 75.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -172.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -115.83 103.33 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 0.0 111.069 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -91.02 2.06 4.71 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.795 2.33 . . . . 0.0 112.186 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.589 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 24.6 m -92.47 5.65 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.946 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.03 -8.51 53.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.186 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.71 24.67 7.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.603 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.6 p -54.9 -42.76 72.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.215 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 29' ' ' TYR . 71.8 mmtt -58.55 -35.07 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.815 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.97 -51.37 50.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m -58.45 -41.26 84.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.465 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -62.09 -46.5 88.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.339 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -73.49 -12.12 60.68 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.9 mp -98.87 6.44 46.81 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 174.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 63.29 36.61 11.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.19 164.23 12.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.9 -170.47 40.77 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.595 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 m-20 -57.17 148.4 52.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 122.935 0.494 . . . . 0.0 111.509 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.589 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 9.1 Cg_exo -71.38 113.19 3.53 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.049 2.499 . . . . 0.0 112.171 178.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 133' ' ' LEU . 2.5 tt -85.61 -39.2 17.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.862 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 43.4 m -143.87 157.71 44.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -175.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 130' ' ' LEU . 22.3 tp -153.87 172.29 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 92' ' ' LEU . . . 117.21 -128.75 8.01 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.457 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -85.8 132.5 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.625 2.216 . . . . 0.0 112.66 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.921 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 37.4 t80 -127.18 100.76 6.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 90.2 mt 75.09 165.57 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.997 0.811 . . . . 0.0 111.239 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' HG2' ' HD1' ' A' ' 99' ' ' TYR . 40.0 ttmt -103.28 81.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -57.98 -58.56 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.663 -171.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.573 ' HA ' ' O ' ' A' ' 123' ' ' ASP . 5.3 m-85 52.75 52.86 13.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.272 0.558 . . . . 0.0 110.679 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -143.06 87.99 8.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.16 -31.21 30.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.52 2.147 . . . . 0.0 112.426 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -82.53 40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.53 0.681 . . . . 0.0 110.718 -175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 m -162.61 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.067 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.1 p -99.3 150.02 22.54 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.299 0.571 . . . . 0.0 111.707 -174.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.02 147.88 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.263 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 ' HB3' ' A' ' 60' ' ' CYS . 70.7 mt -118.06 120.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.929 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.9 m -95.23 152.69 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -129.47 160.34 33.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.378 176.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.81 -143.53 16.37 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.694 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.72 148.56 22.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -52.87 113.41 1.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.565 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.28 -10.78 47.31 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.467 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t -89.77 107.63 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.0 110.423 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.14 35.2 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.906 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 m -80.59 -35.05 34.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.236 -175.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -126.59 100.15 6.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 38.8 m -124.18 136.3 54.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.0 m -114.53 145.69 41.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.009 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -72.16 126.62 30.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -67.49 128.78 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.034 0.445 . . . . 0.0 110.94 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 6.8 tpt180 -106.39 6.44 30.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.715 0.769 . . . . 0.0 109.453 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -112.71 131.51 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.459 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.2 p30 -69.1 -28.97 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.818 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -75.72 73.59 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.305 0.574 . . . . 0.0 110.597 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.03 127.3 30.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.32 121.67 43.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.236 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.1 m -59.48 142.75 51.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.619 HD21 HD11 ' A' ' 92' ' ' LEU . 9.2 tt -73.96 120.09 19.07 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.591 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.921 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.71 149.79 16.79 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.794 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 92' ' ' LEU . 59.4 tp -133.16 121.7 22.95 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 27.2 m -108.02 96.61 6.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 4.9 m -94.07 146.53 23.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 90' ' ' LEU . 85.6 mt -61.06 98.31 0.07 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 28.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.931 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.848 0.356 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.81 82.21 1.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 29' ' ' TYR . 42.8 m -148.56 159.03 44.47 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 25.46 0.1 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.529 0.681 . . . . 0.0 110.646 177.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' H ' ' C ' ' A' ' 27' ' ' SER . 85.5 t80 -113.66 -12.39 12.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.076 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.38 137.87 23.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 -13.75 35.58 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.044 2.496 . . . . 0.0 113.436 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -104.18 10.42 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 111.249 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -92.19 138.14 31.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.777 0.322 . . . . 0.0 110.162 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 43.7 mm-40 -118.04 136.03 53.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 111.638 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 154.48 42.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.828 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -151.02 160.28 44.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 110.641 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 44' ' ' CYS . 91.1 mt -109.67 144.45 38.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 p -72.14 159.72 33.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.136 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.79 -56.95 12.95 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.13 0.269 . . . . 0.0 110.67 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t 50.4 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.081 0.863 . . . . 0.0 112.206 172.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -125.64 -47.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.793 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 14.5 m -126.7 147.5 49.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -72.53 -10.36 59.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.595 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 93.9 m -113.01 29.23 8.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.4 168.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 52.2 tt0 -153.52 88.91 1.3 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.246 0.546 . . . . 0.0 110.043 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.44 -162.22 21.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.974 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -80.71 141.53 34.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.5 tp -85.47 117.12 24.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.671 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -111.07 131.86 54.73 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.75 153.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -97.07 109.07 21.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.616 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -114.21 -172.42 2.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.55 -32.96 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 111.17 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.61 -9.46 58.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.498 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.51 -170.65 18.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.581 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 96.9 m95 -68.01 125.97 28.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.061 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -142.13 150.87 41.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.4 mtp -79.84 142.45 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.94 137.36 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.85 141.8 28.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.733 ' HA ' HD12 ' A' ' 128' ' ' LEU . 15.8 p -65.01 -23.18 67.13 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -170.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -90.23 54.92 2.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.327 0.584 . . . . 0.0 110.037 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.6 m -112.53 158.45 19.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.769 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 65.94 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.152 0.908 . . . . 0.0 111.777 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.02 39.75 0.38 Allowed Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.595 HH22 HD22 ' A' ' 111' ' ' LEU . 23.4 mmt85 -125.13 158.8 32.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -129.31 -152.23 0.51 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -83.65 -12.53 55.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 110.694 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.859 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 10.7 mmpt? -81.69 131.85 35.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.25 118.06 12.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.75 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 16.4 p90 -73.45 169.15 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -60.27 -55.94 27.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.486 -170.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -121.13 103.31 42.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.727 -175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -87.33 2.17 6.9 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.658 2.905 . . . . 0.0 112.254 176.623 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.839 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 m -73.09 -4.64 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -170.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -68.95 -12.31 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.167 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.49 12.75 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 p -57.64 -33.7 68.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.324 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.89 -40.11 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.438 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.53 -47.52 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -61.45 -40.02 92.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.802 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.614 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.4 mmp_? -68.83 -22.7 64.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.748 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.09 9.17 42.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.383 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 61.08 36.81 18.2 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.063 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.0 m -115.84 168.73 9.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.883 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.34 -150.86 10.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.53 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.42 156.86 59.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.839 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 3.8 Cg_exo -76.81 114.19 3.79 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.945 2.43 . . . . 0.0 111.506 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.24 -40.95 67.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.65 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -155.42 152.06 28.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.909 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.75 HD22 ' HZ2' ' A' ' 71' ' ' TRP . 1.2 tt -148.9 126.46 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.81 -157.48 29.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.102 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.03 120.63 7.81 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.569 2.179 . . . . 0.0 111.965 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 44.4 t80 -134.58 118.66 17.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.9 mt 71.12 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.796 0.808 . . . . 0.0 111.5 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.0 mttt -86.38 65.22 8.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.229 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -74.28 -43.76 55.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 38.1 m-85 53.04 66.43 1.23 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.36 0.6 . . . . 0.0 111.697 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -123.5 80.32 54.2 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.165 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.56 ' HB2' ' O ' ' A' ' 120' ' ' SER . 50.1 Cg_endo -68.26 -10.98 30.61 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.99 2.46 . . . . 0.0 113.413 -171.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -79.1 -16.64 56.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.428 0.632 . . . . 0.0 109.73 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 m -111.08 -32.61 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.993 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.8 p -91.78 120.69 32.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.562 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.7 pt -105.5 149.72 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -108.41 123.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.9 m -99.66 144.58 28.57 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -115.25 146.25 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.94 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.73 -153.02 16.89 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.652 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.42 147.02 42.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.595 HD22 HH22 ' A' ' 66' ' ' ARG . 47.5 tp -54.27 109.2 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.118 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.38 -13.32 25.75 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.242 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -88.51 119.24 28.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 111.003 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.65 25.83 10.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.338 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -64.69 -40.77 95.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.582 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -127.79 93.41 3.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.236 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 32.8 m -114.4 139.08 49.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.345 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -114.23 145.42 41.74 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.358 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.43 122.11 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 46.6 t -69.39 128.72 37.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -107.32 32.82 4.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.91 0.862 . . . . 0.0 109.08 173.327 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -134.22 135.16 42.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.274 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -85.04 17.15 3.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.768 0.318 . . . . 0.0 111.708 -172.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mtp -106.49 22.92 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.316 0.579 . . . . 0.0 110.3 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 106.04 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.563 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 37.0 m-70 -77.87 127.02 31.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.898 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -58.46 135.93 57.38 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.239 0.337 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.9 tt -89.25 124.09 34.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.957 0.408 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -113.79 143.04 17.8 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.731 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.0 tp -127.63 118.65 24.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 69.3 m -105.87 110.09 22.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.266 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.7 m -99.67 153.06 19.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.45 93.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.084 0.469 . . . . 0.0 109.846 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 33.3 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.072 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.724 ' HA ' ' OG ' ' A' ' 115' ' ' SER . 3.4 ppt_? . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.928 0.394 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.39 93.51 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.982 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 29' ' ' TYR . 5.1 m -84.95 135.8 33.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.81 -177.448 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 23.59 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.153 0.501 . . . . 0.0 111.69 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 27' ' ' SER . 83.0 m-85 -108.88 -17.46 13.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 174.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 11.6 m-20 -66.92 138.64 95.24 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 -178.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 24.2 Cg_exo -62.09 -25.01 77.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.331 2.687 . . . . 0.0 112.786 -176.224 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -90.66 -3.57 57.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.355 -177.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -74.04 136.42 43.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 58.8 mt-30 -113.55 120.44 40.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -174.366 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -145.59 157.91 43.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -149.6 167.47 26.26 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.1 mt -113.07 133.4 55.01 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.587 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -63.25 152.65 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.147 -177.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.908 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -71.74 70.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.511 0.672 . . . . 0.0 110.962 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.65 -22.58 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.58 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -174.93 -36.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 109.43 -178.27 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 35.8 t -153.47 159.06 42.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.546 177.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.92 16.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.841 0.353 . . . . 0.0 110.686 -178.594 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 15.2 t -129.67 6.44 5.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.445 0.64 . . . . 0.0 109.839 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 24.9 pt20 -153.78 118.29 4.92 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.458 178.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.09 -154.93 25.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.373 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.14 140.49 32.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 tp -81.81 118.63 23.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.889 0.376 . . . . 0.0 111.058 -178.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.97 133.11 55.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.625 172.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.97 148.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.012 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 60.7 t80 -88.18 106.07 17.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 -178.09 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.1 mt -89.21 174.0 8.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -53.71 -36.12 61.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.199 0.454 . . . . 0.0 111.272 -176.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 8.5 m-20 -65.9 -62.32 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.551 176.352 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.49 -160.17 27.56 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.045 -177.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.441 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -74.38 123.83 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 110.752 -177.017 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.42 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.9 m80 -125.33 140.46 52.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.646 -178.617 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.459 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 74.3 mtp -79.68 133.15 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.551 -178.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.87 127.89 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.8 140.4 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.18 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 1.17 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -97.91 38.13 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 109.648 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.9 m -107.69 149.5 28.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.526 -176.39 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 58.3 -106.36 0.3 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.521 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.6 17.2 13.88 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.711 ' HD3' ' HD1' ' A' ' 71' ' ' TRP . 20.9 mmt180 -99.8 152.42 20.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.039 0.447 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.7 t -136.3 -159.05 0.92 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -178.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.2 m -80.07 39.66 0.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.443 0.639 . . . . 0.0 110.81 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -153.95 150.61 28.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.355 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -91.07 134.96 34.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.237 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.711 ' HD1' ' HD3' ' A' ' 66' ' ' ARG . 94.2 m95 -94.87 175.52 6.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -76.65 6.0 6.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -119.76 77.52 21.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.088 0.47 . . . . 0.0 111.454 -179.194 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -87.42 -24.43 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.163 1.909 . . . . 0.0 113.521 -177.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.932 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.2 m -81.96 13.52 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.03 -15.96 62.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 111.276 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -100.28 22.81 10.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.849 0.357 . . . . 0.0 110.959 -178.703 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.702 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 11.7 p -56.11 -47.13 78.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.82 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -60.73 -32.7 71.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.095 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.14 -48.03 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.315 177.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.39 -40.53 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.522 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.94 -38.32 90.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.996 0.427 . . . . 0.0 110.273 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -30.75 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.628 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.87 6.93 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.418 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 64.7 33.92 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.612 -178.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.39 -171.05 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -144.45 13.46 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.48 173.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -87.82 154.32 52.84 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.809 0.338 . . . . 0.0 110.461 178.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.932 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 71.2 Cg_endo -77.24 135.56 15.24 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.091 2.527 . . . . 0.0 113.37 -175.166 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.39 -44.46 10.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.097 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t -144.92 149.36 35.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.439 -176.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 130' ' ' LEU . 64.2 tp -153.46 108.72 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 -179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.1 -155.1 16.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.226 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.24 67.39 5.23 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.21 2.607 . . . . 0.0 111.741 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 87.2 t80 -71.88 -40.75 68.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.933 -173.174 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 21.4 tp -145.14 171.54 14.37 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.689 -175.333 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 43.3 mtmt -132.65 99.26 4.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 m -78.05 -19.04 55.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.477 0.656 . . . . 0.0 109.887 176.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.413 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 0.2 OUTLIER 60.98 34.37 19.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.305 172.283 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.7 m -104.66 99.79 20.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.085 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 98.2 Cg_endo -87.48 55.22 2.82 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.905 2.403 . . . . 0.0 112.564 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -137.69 -73.15 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 t -88.16 12.07 14.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.43 . . . . 0.0 110.849 -178.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.0 p -90.87 143.17 26.99 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.33 140.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.554 0.692 . . . . 0.0 111.652 -177.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 120' ' ' SER . 49.8 mt -107.23 115.78 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.46 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.47 149.5 26.13 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.397 -174.341 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.44 162.8 17.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.179 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.93 -153.53 17.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.328 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.3 tm0? -86.32 139.35 31.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -52.6 111.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.018 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.48 -14.29 18.02 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -98.37 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.326 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -87.18 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.321 0.582 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.724 ' OG ' ' HA ' ' A' ' 25' ' ' ARG . 21.0 m -82.64 -68.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.869 -178.588 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -106.21 96.62 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.647 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.8 m -116.48 133.33 56.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m -112.57 139.94 47.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.59 0.233 . . . . 0.0 110.93 -176.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -61.3 133.37 55.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB2' HG13 ' A' ' 106' ' ' ILE . 39.3 t -87.93 117.75 27.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.296 0.569 . . . . 0.0 111.214 -175.023 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -90.75 -4.87 56.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.487 173.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.49 122.11 21.65 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.29 -34.98 73.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.587 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.77 40.7 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.731 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 t -76.74 111.68 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -74.15 119.24 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.089 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -76.16 134.6 39.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -174.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.76 115.8 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.018 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.88 129.99 9.96 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.015 -178.427 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -118.53 132.06 56.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.9 m -119.57 110.72 17.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 27.5 m -103.5 149.23 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.732 0.301 . . . . 0.0 110.312 -179.399 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.9 136.38 56.79 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 177.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.377 -0.82 . . . . 0.0 109.112 175.056 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt -138.48 74.7 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.735 170.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -125.09 161.11 27.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.789 -178.134 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.689 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -73.8 15.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.717 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.689 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 5.2 m-85 -119.94 8.83 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.419 174.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 26.3 m-20 -86.31 137.4 34.73 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.233 176.652 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.6 Cg_exo -59.12 -23.87 71.07 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.605 2.87 . . . . 0.0 114.047 -170.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -119.33 22.79 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.574 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -79.2 113.7 17.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.258 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.64 139.42 38.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.178 0.513 . . . . 0.0 111.119 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -146.21 157.44 43.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.364 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -154.86 166.85 32.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 110.064 178.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.8 mt -114.36 119.59 37.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.849 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.514 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 12.5 p -59.94 126.81 28.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.491 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 22.4 mtp180 -44.22 -70.3 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 124.078 0.861 . . . . 0.0 112.48 -167.445 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t 66.66 -60.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.339 0.399 . . . . 0.0 110.817 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -127.49 -49.71 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.899 0.381 . . . . 0.0 109.991 176.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -143.96 174.1 11.14 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.727 -177.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -30.82 62.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.681 0.276 . . . . 0.0 111.054 -174.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 84.5 m -107.98 22.12 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.456 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -150.28 93.75 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.243 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . -170.29 -161.11 20.25 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.211 -177.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 69.1 mt-30 -90.65 132.17 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.887 0.375 . . . . 0.0 110.226 -176.364 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.53 127.93 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.296 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.39 134.94 54.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.615 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.58 151.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.138 177.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -92.05 106.33 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.709 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 105' ' ' ILE . 78.9 mt -96.06 -173.47 2.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.71 177.426 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 37.1 ttmt -58.46 -47.27 84.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.334 . . . . 0.0 110.433 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 4.4 m-20 -65.9 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.902 178.358 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.61 -160.67 26.11 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.477 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.3 m95 -65.44 127.98 34.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.465 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.8 m80 -137.83 146.41 43.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.26 178.765 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.7 mtp -80.36 152.97 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 -177.313 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -102.15 130.59 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.403 177.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.16 139.45 33.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.491 ' HB2' ' ND1' ' A' ' 126' ' ' HIS . 6.5 m -70.44 -4.02 20.52 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -79.84 8.75 6.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.112 0.482 . . . . 0.0 110.177 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 106' ' ' ILE . 14.4 t -83.83 153.47 24.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.987 -174.475 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 54.9 33.29 19.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.516 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.52 30.4 68.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.11 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -109.17 172.48 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.292 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -139.49 -144.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.093 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.471 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 40.6 m -76.22 -6.78 52.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.62 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 71.6 mmtt -96.38 134.18 39.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -73.45 145.84 45.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.357 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.662 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 25.4 p90 -87.39 159.78 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 110.282 176.638 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -73.98 -25.7 60.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.986 -164.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -119.21 94.13 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.238 -176.174 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.6 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 4.7 Cg_exo -76.8 -13.67 17.68 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.927 2.418 . . . . 0.0 112.465 177.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.6 p -72.17 2.62 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -175.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.96 -14.08 61.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.076 0.465 . . . . 0.0 110.176 172.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 21.11 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.685 -177.224 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.42 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.9 m -60.66 -32.89 72.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.707 0.289 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 72.3 mmtt -64.15 -32.4 73.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 177.274 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.97 -51.75 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.0 m -58.94 -36.7 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.476 178.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -64.14 -36.33 83.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 178.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 30.1 mmm180 -65.48 -26.75 68.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.515 178.202 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.19 4.19 53.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.972 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.66 32.53 18.42 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.582 -178.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.6 m -98.83 178.55 4.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.95 -162.28 32.04 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.001 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.06 154.6 86.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.606 0.241 . . . . 0.0 110.913 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.8 Cg_exo -74.51 117.07 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.653 2.235 . . . . 0.0 111.652 178.556 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tt -81.5 -43.82 18.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.5 -178.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.443 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 12.2 p -146.04 148.5 32.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.887 -177.116 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.872 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -147.14 89.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -178.654 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.73 -169.59 25.26 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.761 -177.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 24.5 Cg_exo -64.04 135.46 47.64 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.407 2.071 . . . . 0.0 112.205 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.603 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 68.5 t80 -127.5 91.9 3.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.802 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.9 mt 62.83 -171.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.156 178.188 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -133.89 100.59 4.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.041 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 m -79.06 -13.89 59.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.269 -179.213 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 74.5 m-85 63.18 58.71 1.38 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.511 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 p -117.57 73.63 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.834 0.349 . . . . 0.0 111.004 177.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.861 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . 1.8 Cg_endo -81.42 51.51 3.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.438 2.758 . . . . 0.0 112.484 -174.461 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -163.89 -49.97 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.481 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -31.42 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.658 177.155 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' MET . 55.0 p -86.33 142.1 28.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.896 -178.154 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 52' ' ' LEU . 32.6 pt -115.44 155.5 16.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.82 178.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' SER . 80.4 mt -123.15 113.78 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.19 176.547 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 59.7 m -93.26 154.65 17.89 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.0 156.42 38.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.76 -116.23 5.17 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.588 175.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -89.8 128.56 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.532 0.333 . . . . 0.0 111.69 -170.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.56 115.13 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.008 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.96 -14.74 28.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.6 t -92.01 112.08 23.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.902 0.382 . . . . 0.0 110.25 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.8 m-85 -100.4 24.51 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.225 178.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.4 p -80.25 -33.57 37.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -178.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.48 83.09 1.95 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.165 0.507 . . . . 0.0 109.831 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.0 m -124.99 143.19 51.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.351 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 t -120.29 152.6 37.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.445 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -67.05 141.89 57.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.9 t -61.97 97.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.905 -176.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -66.65 -31.71 72.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.471 0.653 . . . . 0.0 109.689 177.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -79.47 124.3 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.711 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.861 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 7.0 p-10 -77.23 -15.02 59.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 -178.639 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 87.0 mtp -88.06 57.9 4.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.172 0.51 . . . . 0.0 110.025 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.4 t -91.75 118.28 30.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.491 ' ND1' ' HB2' ' A' ' 61' ' ' SER . 5.5 p80 -85.4 122.03 28.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.367 170.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 147.72 51.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.64 -173.749 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' A' ' 92' ' ' LEU . 9.9 tt -93.72 129.57 40.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.642 -178.371 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.603 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.54 129.77 8.61 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.308 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.872 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.8 tp -113.15 131.27 55.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.22 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.443 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 97.6 m -120.26 109.78 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.848 0.356 . . . . 0.0 110.635 179.025 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 9.0 m -102.3 144.34 30.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.176 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.32 101.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 174.11 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.817 0.342 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -135.72 119.93 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.621 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 16.9 p -149.76 155.63 40.47 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.516 -177.364 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.26 7.66 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.204 0.526 . . . . 0.0 110.55 176.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.621 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 97.2 m-85 -86.93 -15.37 39.12 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.674 175.283 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 21.1 m-20 -79.1 124.44 84.59 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.283 177.312 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.53 -23.75 74.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.993 2.462 . . . . 0.0 113.143 -172.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -112.04 15.81 20.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.217 -178.015 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 66.5 t80 -56.92 128.91 39.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.473 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 88.1 mm-40 -83.45 99.7 10.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.027 0.441 . . . . 0.0 111.189 -174.479 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.09 150.36 45.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.079 177.485 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -145.77 145.84 30.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.419 -179.017 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -99.93 131.42 45.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -62.33 137.05 58.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 56.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.369 0.604 . . . . 0.0 110.954 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -72.15 -57.0 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.536 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -108.34 -35.78 6.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.521 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -163.14 -179.83 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.754 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.01 -34.94 73.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.782 -178.126 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.741 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.4 m -104.8 29.41 6.27 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.154 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -153.51 107.75 3.07 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 111.213 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.48 -158.36 26.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.636 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -81.47 145.16 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -85.37 111.74 20.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -178.094 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 49.0 mt-10 -106.8 126.39 52.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.762 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.89 152.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.204 -179.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 84.4 t80 -89.47 98.04 11.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.1 tp -88.61 -175.75 5.04 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 10.4 mtmp? -68.59 -19.74 64.47 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.145 -177.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' HD23 ' A' ' 52' ' ' LEU . 5.1 p-10 -93.59 -7.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.15 -169.53 15.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.736 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.24 124.05 23.19 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.978 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -148.11 157.58 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 177.215 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.9 mtp -83.48 137.95 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.42 133.02 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 38.1 t -92.84 143.99 25.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.145 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -66.24 -15.1 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.518 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 106' ' ' ILE . 10.5 mm100 -76.13 -5.25 45.82 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.748 178.206 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -60.79 150.69 31.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -175.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 64.51 19.21 11.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.801 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.64 54.97 16.3 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.377 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -128.98 153.62 47.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 p -88.5 155.61 19.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.784 175.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 94' ' ' PRO . 18.6 m -78.52 76.28 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.034 0.445 . . . . 0.0 111.345 -176.37 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -130.58 143.74 50.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.0 121.99 18.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.291 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -78.19 167.49 21.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.409 -174.176 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -66.89 -46.73 73.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.867 -177.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.51 103.12 16.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.409 -177.128 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.33 2.92 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 123.225 2.617 . . . . 0.0 112.394 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -64.37 -13.49 51.01 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.832 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -15.72 63.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 0.0 110.064 177.011 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.77 14.66 27.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 p -57.72 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.351 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.58 -33.55 75.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.334 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.13 -47.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.863 177.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.5 m -62.01 -41.24 97.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.052 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.25 -34.95 79.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.92 -37.35 86.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.926 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -91.6 6.5 45.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 m120 60.09 45.7 11.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.47 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 -172.23 2.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.59 -134.18 6.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.514 178.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.89 150.48 69.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.798 0.332 . . . . 0.0 111.146 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 56.8 Cg_endo -78.44 101.73 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.85 2.367 . . . . 0.0 111.487 175.597 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD12 HD21 ' A' ' 133' ' ' LEU . 1.9 tt -66.1 -47.08 75.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.378 -174.566 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m -151.32 142.75 23.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -176.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 130' ' ' LEU . 10.4 tt -134.61 141.8 46.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.058 177.335 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.51 -139.62 7.0 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HB3' ' HB3' ' A' ' 68' ' ' SER . 93.9 Cg_endo -83.17 120.23 2.91 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.481 2.12 . . . . 0.0 112.107 179.219 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.013 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 20.2 t80 -106.4 82.61 1.76 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.115 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt 65.77 178.99 0.2 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.901 -179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -125.39 93.18 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.861 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -79.47 -10.89 59.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.737 -175.236 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.598 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 4.0 m-85 59.47 67.47 0.89 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -121.5 58.68 8.51 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.385 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 1.8 Cg_endo -81.01 18.73 1.25 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.256 2.637 . . . . 0.0 111.853 -174.149 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -123.77 14.67 9.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.853 0.835 . . . . 0.0 108.805 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -145.85 -30.02 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 56.9 p -72.02 130.85 41.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.946 0.403 . . . . 0.0 111.436 -178.241 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.3 pt -114.54 154.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.506 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.551 HD11 ' HB2' ' A' ' 62' ' ' GLN . 8.6 mt -122.21 123.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.695 177.108 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 55.2 m -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.16 145.34 46.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.8 11.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.748 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -85.0 146.34 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.955 -175.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.03 111.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 178.706 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.33 -11.31 26.33 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.354 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.8 t -93.88 116.55 29.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.411 0.624 . . . . 0.0 110.835 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -102.89 22.08 14.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 m -69.73 -20.54 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.518 -174.066 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -148.87 103.13 3.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.963 0.411 . . . . 0.0 110.184 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 35.0 m -123.96 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.378 -177.674 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.3 m -125.25 144.05 50.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.871 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.59 130.33 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 t -94.65 133.85 37.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -172.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 8.8 tpt180 -108.78 48.12 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 125' ' ' CYS . 12.2 t-20 -113.13 112.61 24.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.949 -178.24 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.85 -39.98 87.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.847 -173.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 88.2 mtp -97.41 37.27 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -73.38 106.27 5.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.744 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.78 118.92 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.453 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 128.69 37.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 tt -76.18 125.25 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 1.013 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.91 139.45 13.91 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.176 -178.683 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 92' ' ' LEU . 53.1 tp -124.03 126.05 45.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.74 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.1 m -107.31 104.62 14.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.231 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.741 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 34.0 m -100.13 140.86 33.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.448 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 90' ' ' LEU . 94.9 mt -67.35 146.34 54.18 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.424 ' HG2' ' SG ' ' A' ' 44' ' ' CYS . 25.6 mt-10 . . . . . 0 C--N 1.316 -0.857 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.193 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -130.35 105.61 8.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.708 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 29' ' ' TYR . 48.9 m -120.34 161.55 20.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.117 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.501 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -76.75 21.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.41 0.624 . . . . 0.0 110.759 175.839 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.501 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 3.1 m-85 -110.81 -11.34 14.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 174.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.41 136.33 60.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.28 -179.252 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.96 -3.86 14.55 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.94 2.427 . . . . 0.0 112.107 -176.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.41 4.96 26.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.013 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -77.96 103.73 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 9.8 mm-40 -91.76 129.45 37.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.494 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 149.1 31.79 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 178.215 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD11 ' A' ' 84' ' ' LEU . 35.8 ptt180 -144.28 159.66 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.201 0.524 . . . . 0.0 110.097 -179.616 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.5 mt -97.85 120.66 38.63 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 172.113 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -52.98 154.35 2.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.806 0.691 . . . . 0.0 111.523 -173.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HD2' ' HD3' ' A' ' 43' ' ' LYS . 16.7 mmm180 -42.61 -64.2 0.65 Allowed 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.238 0.961 . . . . 0.0 110.545 -177.224 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 t 50.25 -91.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.979 0.8 . . . . 0.0 112.231 173.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.99 -42.32 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.344 0.592 . . . . 0.0 109.409 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -153.36 141.08 20.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' HD2' ' A' ' 39' ' ' ARG . 53.0 mtmt -84.87 12.55 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -169.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 29.3 t -112.07 3.16 17.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.762 0.792 . . . . 0.0 109.192 171.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -155.39 87.15 1.1 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.039 175.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.4 -158.51 8.97 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.36 -174.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -79.98 134.52 36.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.123 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -72.61 107.38 5.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -112.05 121.14 44.16 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.239 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.13 148.92 10.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.645 -176.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -97.31 103.57 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.177 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.2 -179.5 5.66 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 173.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 4.7 ttpm? -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.503 0.668 . . . . 0.0 109.571 177.626 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.37 7.29 36.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.513 -174.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.06 -170.76 13.45 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.324 174.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 98.5 m95 -80.62 129.64 34.64 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 122.327 0.251 . . . . 0.0 110.381 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -139.96 141.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.472 177.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 mtm -86.16 136.68 33.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.1 t -82.84 126.04 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.7 143.55 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.031 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -60.83 -20.2 61.26 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.078 -176.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -91.18 42.45 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 152.63 20.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 54.68 -137.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.82 26.54 22.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.833 174.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -92.9 110.51 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.877 0.37 . . . . 0.0 110.262 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.488 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 18.2 m -70.94 165.12 24.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.004 175.243 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -74.51 64.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.383 0.611 . . . . 0.0 111.768 -177.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 70' ' ' GLN . 40.7 ttmt -158.11 165.15 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.697 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 9.8 tt0 -78.5 139.35 38.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 175.231 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 72.2 m95 -110.3 155.5 22.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.252 -178.045 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -83.34 40.51 0.72 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -169.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -162.74 74.05 2.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.968 0.413 . . . . 0.0 110.206 174.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.82 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.1 Cg_endo -83.81 -9.96 9.66 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.79 2.327 . . . . 0.0 111.71 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' SER . . . . . 1.017 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 43.4 m -72.28 -5.64 37.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.743 -175.447 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.44 -13.78 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.078 175.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.24 26.56 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 11.9 p -56.52 -53.46 57.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.898 -177.071 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 40.8 ttmt -63.13 -27.98 69.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.345 -176.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.5 -50.12 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.68 -33.99 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.39 178.026 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.5 mm-40 -65.91 -37.92 87.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.887 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.4 mmm180 -65.5 -23.18 66.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.949 0.404 . . . . 0.0 110.674 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 36' ' ' ARG . 93.6 mt -101.94 10.56 39.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.545 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 58.65 44.18 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.78 0.8 . . . . 0.0 110.862 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -115.1 169.7 8.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.698 174.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.72 -140.23 1.74 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.756 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.83 150.74 86.37 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 1.017 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.1 Cg_endo -79.91 115.98 3.37 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.876 2.384 . . . . 0.0 112.007 177.49 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 133' ' ' LEU . 88.0 mt -90.47 -45.84 8.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.018 -173.515 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -133.53 141.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 0.0 111.588 -172.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 74' ' ' PRO . 4.8 mt -139.68 84.05 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.068 177.308 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.67 174.93 32.93 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 119.289 -0.728 . . . . 0.0 111.612 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.46 123.57 13.1 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.488 2.125 . . . . 0.0 111.796 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -98.41 -76.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.538 -172.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 79.0 mt -137.3 170.09 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.461 0.648 . . . . 0.0 111.718 -176.065 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -113.54 96.49 5.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.164 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.2 p -108.19 36.93 2.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.953 -174.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 64.38 103.6 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.328 0.585 . . . . 0.0 110.159 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.501 ' HB ' ' OG ' ' A' ' 104' ' ' SER . 19.0 p -128.88 67.64 78.08 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.107 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -87.72 -11.97 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.084 1.856 . . . . 0.0 111.939 176.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -153.59 -32.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.558 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -61.25 -30.73 70.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.733 -172.59 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.501 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 56.4 p -95.15 124.53 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.157 0.503 . . . . 0.0 111.118 -175.588 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.2 pt -104.53 142.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.563 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.6 mt -105.86 118.3 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.2 t -94.88 139.66 31.0 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.809 -177.732 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -109.9 156.72 20.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.601 -175.439 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.34 -129.76 9.21 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.669 178.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -114.38 143.98 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -175.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.2 114.85 1.61 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.801 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.65 10.42 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.644 -177.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.2 t -94.84 113.3 25.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.78 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.8 19.99 19.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.251 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 m -67.73 -34.01 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.687 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -141.28 94.05 2.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.143 0.497 . . . . 0.0 110.304 -179.283 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -117.08 142.18 47.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.7 m -121.99 155.83 34.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.828 0.347 . . . . 0.0 111.344 -173.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -79.7 134.15 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 -177.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -91.14 128.33 36.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 13.0 tpt85 -98.2 5.13 48.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.466 -178.062 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -106.48 129.1 54.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.11 56.3 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.647 0.737 . . . . 0.0 110.534 -174.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -124.54 11.72 8.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 174.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.41 138.58 31.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.179 -178.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -105.55 130.43 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -65.42 133.37 51.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.901 0.381 . . . . 0.0 110.524 -178.168 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.92 124.48 23.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.28 133.14 11.31 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.536 -175.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.474 ' HB3' HD21 ' A' ' 37' ' ' LEU . 67.3 tp -117.0 116.04 26.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.471 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.2 m -101.85 109.13 20.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.016 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.84 154.9 18.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 90' ' ' LEU . 19.0 mt -60.67 113.14 2.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.009 0.433 . . . . 0.0 110.085 175.37 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.447 ' OE1' ' HB3' ' A' ' 44' ' ' CYS . 36.5 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.075 -174.246 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HD3' ' OG ' ' A' ' 27' ' ' SER . 11.1 ptp180 . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.7 0.286 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 94.5 mt -115.61 56.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.002 0.43 . . . . 0.0 110.193 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 29.8 m -90.31 151.59 21.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.48 22.48 0.17 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.05 0.452 . . . . 0.0 112.069 -176.734 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -108.29 -15.69 14.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.963 172.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.05 136.75 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 178.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.74 -11.5 21.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.486 2.124 . . . . 0.0 111.459 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.24 -9.87 55.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.242 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -80.63 134.27 35.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.175 -178.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -121.03 132.56 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.022 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.09 157.44 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.056 178.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -139.3 145.78 39.54 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.67 125.5 49.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.324 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -61.37 128.31 35.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.3 -18.11 56.94 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.762 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t 30.64 -86.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.897 1.279 . . . . 0.0 113.814 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -105.6 -41.69 5.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.252 0.549 . . . . 0.0 109.926 177.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 13.6 t -147.56 146.45 29.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.774 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -57.28 -22.84 44.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -167.131 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.803 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 79.7 m -113.37 26.11 10.71 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.607 -177.233 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 9.9 pt20 -155.27 100.21 2.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.152 175.595 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -173.88 -156.72 13.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.554 -175.062 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -75.87 136.79 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.191 -0.299 . . . . 0.0 110.191 -177.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -89.82 112.17 23.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 -178.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.09 128.87 55.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.45 151.37 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -94.55 112.15 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.892 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 105' ' ' ILE . 84.3 mt -94.04 -168.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.994 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -61.56 -27.26 68.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.1 -68.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.841 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.29 -158.35 9.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.122 -178.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.43 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.1 m95 -85.07 130.08 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.854 0.359 . . . . 0.0 110.466 -178.088 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -139.14 151.56 46.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.025 0.44 . . . . 0.0 110.971 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 75.4 mtp -85.52 131.47 34.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.628 -175.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.72 126.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.13 142.83 27.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -80.07 32.85 0.27 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.548 -178.137 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -120.99 24.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.434 174.4 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.9 m -92.78 157.26 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -175.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 60.57 14.4 4.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.176 175.053 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.28 66.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.998 -177.536 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.474 HH12 HD22 ' A' ' 111' ' ' LEU . 23.1 mmt85 -107.74 136.97 46.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 t -76.24 154.97 34.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 -177.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -77.62 72.37 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 111.56 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -144.46 161.67 38.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.207 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -63.13 105.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.277 0.361 . . . . 0.0 110.199 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -77.47 136.49 38.36 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 58.03 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 111.265 -172.21 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -169.58 69.55 0.65 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.643 172.651 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.47 -14.78 17.93 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.042 1.828 . . . . 0.0 111.665 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -70.18 -16.72 63.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.252 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.34 -35.21 67.35 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 170.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.66 10.88 38.82 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.238 -175.166 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.92 -35.35 72.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.72 -29.78 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.89 -50.5 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.247 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 87' ' ' GLY . 80.6 m -56.89 -42.14 79.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.133 177.649 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.67 -49.64 75.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.872 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -64.19 -28.13 69.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.392 -178.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mp -90.92 9.98 28.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.937 -178.441 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.77 42.35 8.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.845 0.831 . . . . 0.0 110.413 177.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.01 168.27 13.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.291 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 81' ' ' CYS . . . -75.55 -179.82 45.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.847 177.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.08 156.05 51.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.818 -175.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.81 120.49 3.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 113.383 -177.325 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 133' ' ' LEU . 72.4 mt -76.0 -54.03 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.832 177.326 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.8 m -143.03 159.82 41.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 -174.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 130' ' ' LEU . 46.1 tp -144.6 126.86 15.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.212 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.06 -148.16 12.39 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.278 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.2 123.22 7.61 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.285 1.99 . . . . 0.0 112.035 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 45.2 t80 -105.01 -53.73 2.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.353 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 97.4 mt -139.74 173.35 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.025 -179.687 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.0 86.98 2.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.842 0.83 . . . . 0.0 110.026 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.77 -23.23 63.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.23 -176.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 1.3 t80 57.69 35.23 25.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.87 170.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 m -110.95 96.58 30.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.766 -177.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 12.7 Cg_exo -70.7 67.89 2.26 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.459 2.772 . . . . 0.0 112.525 -178.56 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.421 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 63.1 tt0 -174.18 -50.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.559 177.22 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -70.4 -36.96 74.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.1 p -85.78 143.69 28.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 52' ' ' LEU . 29.8 pt -127.7 157.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.072 -177.803 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 59.4 mt -114.47 121.0 65.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.358 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 78.2 m -98.41 151.65 20.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.196 -176.172 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -126.31 160.25 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.17 -129.18 7.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.82 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -104.05 151.94 22.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.126 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.474 HD22 HH12 ' A' ' 66' ' ' ARG . 43.1 tp -56.34 104.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.35 0.406 . . . . 0.0 110.883 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.57 -5.76 26.29 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.785 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.7 t -101.19 118.78 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.151 0.5 . . . . 0.0 110.289 177.806 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 80.7 m-85 -105.72 28.26 7.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 27.8 m -57.8 -33.12 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -174.665 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -147.11 114.27 6.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.048 0.452 . . . . 0.0 109.962 176.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 56.6 m -120.07 151.18 39.41 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -116.04 143.61 45.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.042 0.448 . . . . 0.0 111.5 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 48.7 t-80 -61.61 119.93 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.756 176.719 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -97.41 109.91 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.958 0.408 . . . . 0.0 110.856 -176.444 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.53 -6.61 58.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.362 0.601 . . . . 0.0 109.574 173.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -63.49 125.64 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.515 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.26 -22.3 52.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.3 ttt -77.33 81.76 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.299 0.571 . . . . 0.0 109.532 174.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.7 t -141.29 135.68 30.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.717 -178.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -117.69 125.66 51.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.538 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.9 m -65.72 127.68 32.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.308 . . . . 0.0 110.66 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.98 128.57 36.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.957 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.26 132.03 8.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.028 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 92' ' ' LEU . 58.1 tp -109.81 127.38 54.63 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.9 m -105.69 91.29 3.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 -177.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 19.8 m -87.25 159.35 18.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.068 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.553 HD12 ' HG ' ' A' ' 90' ' ' LEU . 4.0 mp -69.27 85.86 0.4 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 8.4 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.301 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HA ' ' HB3' ' A' ' 115' ' ' SER . 70.0 mtt180 . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.611 0.243 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' H ' ' HA ' ' A' ' 115' ' ' SER . 69.1 mt -95.65 93.23 7.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 169.771 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -114.25 163.85 14.69 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.978 -175.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -77.54 13.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.701 -176.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.79 -9.86 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.571 173.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.31 142.89 55.16 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.508 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.88 -24.66 24.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 123.232 2.621 . . . . 0.0 113.413 -172.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -109.16 16.99 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -75.34 123.69 25.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.188 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.87 119.98 37.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.631 -175.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.22 160.88 39.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 179.364 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.62 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -157.67 173.93 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.282 179.319 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.12 138.91 51.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -60.65 146.09 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.547 ' HG3' ' H ' ' A' ' 40' ' ' SER . 16.5 ptt85 -47.1 -59.81 2.89 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.45 0.469 . . . . 0.0 111.596 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.547 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 24.4 t 57.53 -100.7 0.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 176.064 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.73 -37.74 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.2 t -153.66 143.26 21.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.259 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.46 8.54 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -169.65 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 43.5 t -106.06 -8.36 17.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.33 0.586 . . . . 0.0 110.64 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.574 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.6 OUTLIER -148.89 96.84 2.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 0.0 110.05 179.129 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.34 -157.61 9.32 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.926 -175.483 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -80.81 139.09 36.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.38 120.3 24.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.963 0.411 . . . . 0.0 111.293 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.62 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 47.7 mt-10 -110.55 127.42 55.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.536 174.302 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 114' ' ' PHE . 30.6 m -119.53 152.0 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 179.062 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -93.09 112.43 24.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.881 -177.457 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -103.12 -172.89 2.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.347 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mptp? -59.17 -42.13 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 0.0 110.558 -179.201 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.12 -49.04 68.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.76 -152.12 22.96 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.841 -176.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.8 132.1 35.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 -177.576 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -136.39 148.49 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.392 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.1 mtp -79.9 132.47 36.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.221 179.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.37 128.67 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.935 0.398 . . . . 0.0 110.448 178.376 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.81 151.31 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 77.5 p -65.68 -26.74 67.91 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -169.658 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.89 10.69 3.91 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.035 0.384 . . . . 0.0 112.035 -176.411 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -66.48 137.11 56.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 62.19 10.83 4.01 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.939 178.333 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 28.99 23.65 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.264 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 61' ' ' SER . 41.9 mmt-85 -70.99 129.65 39.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.171 0.486 . . . . 0.0 109.994 173.292 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -105.3 -174.88 2.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.0 -178.089 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 t -76.97 48.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.44 0.638 . . . . 0.0 110.534 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -164.19 127.81 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.708 178.114 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.484 ' OE1' ' HA ' ' A' ' 91' ' ' SER . 9.7 tt0 -60.1 127.98 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.901 0.381 . . . . 0.0 110.822 -178.362 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -70.9 150.53 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.61 -15.33 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -169.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -129.4 94.18 33.6 Favored Pre-proline 0 C--N 1.326 -0.433 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.753 176.455 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -87.88 -5.74 6.83 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.942 2.428 . . . . 0.0 111.092 170.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.831 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 52.7 m -75.09 -8.9 57.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.178 -173.72 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.33 -27.22 45.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 177.047 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.47 25.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.576 -175.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.484 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 63.4 m -53.96 -39.41 65.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.535 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.633 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.36 -51.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.34 -34.6 78.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.636 -178.564 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -54.61 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.862 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -63.99 -22.12 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.499 -175.104 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -86.38 3.26 44.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.828 179.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t30 63.3 51.93 2.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.843 0.83 . . . . 0.0 110.207 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.9 m -121.55 -80.4 0.62 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.534 178.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.17 -132.22 2.75 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.256 -177.058 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.7 m-20 -79.12 151.72 75.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.529 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.831 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 9.7 Cg_endo -86.74 105.31 0.68 Allowed 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.162 2.575 . . . . 0.0 111.163 173.78 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.98 -46.04 22.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.229 -174.298 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.484 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 14.5 m -140.09 144.01 36.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.776 -175.434 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.589 ' HG ' HD13 ' A' ' 130' ' ' LEU . 2.5 tt -146.67 85.29 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.788 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.55 -165.01 15.68 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.465 -177.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.51 111.03 1.98 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.796 2.33 . . . . 0.0 111.863 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.902 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.4 t80 -98.74 -62.99 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.404 -174.748 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.631 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 92.3 mt -123.35 -174.14 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.779 -176.307 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.45 81.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -77.81 -34.17 52.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.472 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 50.21 61.81 3.0 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -115.61 87.03 16.49 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 171.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.79 55.66 3.34 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.649 2.899 . . . . 0.0 113.085 -172.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -147.08 -48.95 0.18 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.378 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m -90.32 -8.04 51.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.945 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.8 p -92.99 140.81 29.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -125.67 154.65 34.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 177.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.44 125.56 71.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.21 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.4 m -95.18 124.81 39.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -174.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.18 153.57 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.4 -149.49 16.94 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.971 -179.244 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -93.5 140.33 29.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.9 tp -51.34 120.62 5.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.173 -178.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.85 -12.14 41.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.101 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -101.01 113.75 27.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CE2' HG11 ' A' ' 50' ' ' VAL . 85.9 m-85 -101.02 40.0 1.33 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.05 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 25' ' ' ARG . 14.5 p -52.19 -60.52 3.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.919 -174.341 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -146.9 84.27 1.6 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 45.4 m -77.6 132.86 38.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.55 177.53 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -99.87 157.97 16.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 111.008 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -60.38 128.74 38.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.531 177.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -65.67 118.23 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -123.81 68.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.61 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -127.93 152.17 48.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.935 -172.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.44 -36.77 45.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.991 175.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.5 ttp -135.22 125.13 25.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.11 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.3 t -168.03 137.61 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -107.41 166.74 10.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.687 -175.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 m -77.98 129.02 34.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.41 123.38 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.902 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -111.96 118.54 4.77 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.323 -176.88 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.589 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.1 tp -103.03 117.42 34.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.037 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.0 m -100.16 103.33 14.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 81.7 m -89.14 154.83 19.84 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.71 91.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 111.199 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.665 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 38.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.959 0.409 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 114' ' ' PHE . 94.3 mt -109.44 61.62 0.6 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 171.37 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.6 m -90.05 153.55 20.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.733 -175.694 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.492 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -78.18 35.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 111.195 178.356 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 27' ' ' SER . 31.8 m-85 -134.07 1.94 3.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.039 171.476 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 m-20 -88.77 139.04 29.33 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 17.3 Cg_exo -66.38 -26.14 48.42 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.421 2.747 . . . . 0.0 113.329 -171.786 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -92.79 -1.49 56.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.996 -177.452 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -82.02 128.65 34.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.058 -179.451 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -111.0 138.55 47.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -149.16 151.87 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 7.5 ptp180 -145.49 170.68 15.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.881 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.2 mt -111.14 143.35 42.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.605 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 p -63.49 161.03 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.358 0.412 . . . . 0.0 110.829 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -54.62 -61.89 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 t 53.17 -99.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 123.816 0.697 . . . . 0.0 111.014 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -126.49 -15.34 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.513 0.673 . . . . 0.0 109.749 177.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.655 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 40.7 t -167.68 139.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.22 -176.077 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 50.0 mtpt -68.45 -10.89 58.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.082 -179.188 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 12.8 t -98.92 5.0 47.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 111.022 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 1.6 pp0? -158.87 116.89 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.338 0.59 . . . . 0.0 110.809 177.325 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.83 -163.07 34.03 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.914 -177.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.98 142.94 41.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.1 tp -81.13 119.41 23.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 -176.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.711 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 44.5 mt-10 -111.59 126.2 54.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 172.782 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.15 150.96 13.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.162 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -89.21 107.98 19.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD11 HD13 ' A' ' 105' ' ' ILE . 93.4 mt -88.28 -173.8 4.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.31 176.647 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -61.78 -35.72 78.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.872 0.368 . . . . 0.0 111.095 -175.165 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -93.97 -32.2 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.401 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.09 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 119.718 -1.229 . . . . 0.0 113.531 -177.604 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.8 m95 -78.03 135.55 37.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.45 -176.478 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -141.25 142.95 33.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.698 176.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.711 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 55.8 mtm -77.92 141.55 38.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 -178.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.94 132.16 35.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 110.616 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.5 t -86.38 136.29 33.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 t -76.48 12.76 1.14 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -171.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -117.39 39.75 3.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.952 0.882 . . . . 0.0 109.491 176.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.7 m -99.08 162.05 13.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.217 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 60.9 -91.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.523 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.92 37.48 1.34 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 176.462 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -116.57 167.36 11.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 t -152.18 -154.83 0.56 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.1 m -78.34 58.27 2.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -135.25 159.27 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.404 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -129.26 133.01 47.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.188 0.518 . . . . 0.0 111.342 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -106.78 153.8 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.658 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -84.5 42.28 0.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.47 83.25 5.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -92.09 7.51 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.066 2.51 . . . . 0.0 111.722 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -59.89 -24.25 64.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.218 -173.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 12.4 mm100 -53.98 -27.25 30.34 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.9 35.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 111.699 -176.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -53.86 -55.45 26.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.567 -178.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -64.24 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -175.425 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.85 -59.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.819 -176.2 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.33 -39.33 90.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -67.62 -47.64 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.303 -175.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -73.52 -20.16 60.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 31.8 tp -67.81 -56.29 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 175.429 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 84' ' ' LEU . 9.6 t30 158.12 -33.37 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.092 0.87 . . . . 0.0 110.586 -175.067 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 133' ' ' LEU . 57.9 m -85.08 179.29 7.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.229 -169.43 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.06 -132.16 4.34 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.757 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.68 156.93 88.14 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.36 136.38 9.93 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.346 2.697 . . . . 0.0 112.341 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 133' ' ' LEU . 73.1 mt -91.44 -49.58 6.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.353 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p -143.0 145.35 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -178.116 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tt -141.85 131.97 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.91 -163.78 32.42 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.89 99.68 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.475 2.117 . . . . 0.0 111.632 177.345 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.868 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 59.9 t80 -86.63 -59.63 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.314 -177.146 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.6 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 82.8 mt -125.01 161.14 27.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.65 178.078 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -116.51 68.55 0.73 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.57 0.7 . . . . 0.0 110.447 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.5 m -66.62 -29.82 69.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.19 177.477 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.3 t80 48.65 62.15 2.71 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.743 0.652 . . . . 0.0 111.101 175.725 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 p -123.23 85.05 51.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.565 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 39.6 Cg_exo -58.08 -24.08 64.25 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.133 2.555 . . . . 0.0 112.514 -178.344 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.561 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 53.5 tt0 -67.11 -31.69 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.882 179.652 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -102.0 -33.7 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.593 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.7 p -87.2 156.21 19.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.483 0.658 . . . . 0.0 111.874 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 52' ' ' LEU . 36.2 pt -127.09 152.64 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.633 178.522 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.16 134.95 59.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.373 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -118.61 158.58 25.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -174.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -124.97 152.4 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.627 -177.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.7 -152.43 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.474 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 tm0? -79.79 133.95 36.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.122 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.7 tp -52.49 100.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.522 0.514 . . . . 0.0 111.715 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 130.88 -20.68 4.78 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.0 t -107.45 115.62 30.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.893 0.378 . . . . 0.0 110.459 -178.494 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 91.3 m-85 -86.57 53.33 2.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.67 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.4 p -71.55 -31.54 67.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.779 -174.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -151.0 95.79 2.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.976 0.417 . . . . 0.0 110.451 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 2.9 m -115.25 162.01 17.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.975 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -147.96 165.72 29.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.561 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 57.8 t-80 -57.73 133.2 55.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.926 177.46 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 22.6 t -65.45 123.26 19.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.6 . . . . 0.0 111.1 -174.783 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -131.02 4.21 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.086 177.81 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -71.51 141.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.695 -172.141 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.71 -17.27 64.77 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.848 -176.292 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 mtt -132.25 119.05 20.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.309 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.0 t -143.84 112.34 6.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.201 0.524 . . . . 0.0 110.948 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -111.45 125.8 54.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.03 133.49 55.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.065 0.459 . . . . 0.0 111.647 -176.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 tt -77.71 130.18 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.139 -176.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.868 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.14 145.31 18.67 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.229 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.413 ' HB3' HD21 ' A' ' 37' ' ' LEU . 54.4 tp -131.38 136.34 47.96 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.615 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.0 m -121.73 113.77 20.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 176.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.2 m -103.21 159.78 15.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.701 -177.456 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 90' ' ' LEU . 38.5 mt -73.19 117.21 14.65 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.397 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.619 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.8 tt0 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 171.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.648 0.261 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -130.93 91.67 3.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.422 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.1 t -104.44 153.69 20.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -1.13 15.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.024 0.44 . . . . 0.0 110.302 175.536 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.64 -28.14 33.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.431 175.184 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.4 m-20 -60.59 134.44 91.73 Favored Pre-proline 0 C--O 1.231 0.092 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 11.3 Cg_exo -70.59 -24.31 26.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.069 2.513 . . . . 0.0 112.308 -175.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.21 -2.11 56.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -77.99 102.52 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.9 mm100 -85.3 131.38 34.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.783 -178.241 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.03 150.66 37.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.881 177.12 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 166.54 32.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.992 0.425 . . . . 0.0 110.205 -179.679 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 130' ' ' LEU . 46.4 mt -110.42 138.25 47.06 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.603 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -67.43 165.89 15.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.87 -73.11 0.09 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.138 0.273 . . . . 0.0 110.806 -174.083 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t 65.98 -74.6 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.499 0.5 . . . . 0.0 111.285 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -147.73 -32.52 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.445 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 50.2 m -145.58 145.9 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.698 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 2.6 mppt? -65.29 -20.27 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.902 -169.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 86.6 m -117.32 24.16 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 175.23 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 66.8 mt-30 -141.1 79.04 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.31 -152.49 6.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.281 -176.369 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.97 143.59 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.66 110.04 13.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.488 . . . . 0.0 110.416 -178.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -111.56 124.45 52.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.45 152.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.016 0.436 . . . . 0.0 111.005 -175.201 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.46 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 61.8 t80 -105.38 114.33 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.506 -178.086 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.57 -167.0 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.9 mptp? -57.15 -36.48 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 0.0 110.559 178.514 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -85.75 7.94 21.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.811 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.45 -154.64 20.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.382 173.417 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -81.78 122.04 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 111.071 -178.345 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -139.96 150.45 44.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.379 176.699 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.471 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.1 mtp -81.13 154.01 26.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.14 -178.722 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.5 t -101.69 129.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.27 141.92 30.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -67.85 -10.91 56.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.264 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.24 8.14 34.69 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.889 -0.507 . . . . 0.0 111.22 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.1 m -70.31 155.8 40.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 60.12 27.92 17.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.056 175.25 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.88 34.08 87.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.516 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -102.94 158.02 16.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.963 0.411 . . . . 0.0 110.549 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.436 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 2.2 p -101.31 155.97 17.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.457 176.678 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.9 m -79.82 76.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 111.874 -174.143 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HE3' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -154.31 169.86 22.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.812 175.177 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -59.29 118.14 5.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.887 0.375 . . . . 0.0 110.666 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -78.97 139.0 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.574 178.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.43 -9.73 54.92 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -130.02 77.96 75.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 110.672 -177.236 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 3.0 Cg_exo -75.32 -18.85 17.74 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 111.407 177.357 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -20.11 61.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.24 -178.115 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -56.07 -29.04 59.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.65 0.262 . . . . 0.0 111.499 176.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.75 22.2 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -173.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -57.02 -39.93 75.71 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.98 -31.41 72.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.321 -177.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.34 -51.2 71.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 22.4 m -63.75 -35.77 81.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.548 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.14 -45.53 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -74.65 -18.13 60.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.76 7.42 44.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 177.165 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.67 48.57 1.4 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.644 175.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.4 m -140.65 179.76 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 176.219 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -152.61 27.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.961 -173.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.7 t70 -64.41 145.79 98.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 123.399 0.679 . . . . 0.0 111.222 -175.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.0 Cg_exo -71.62 109.57 2.67 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.068 2.512 . . . . 0.0 112.092 177.685 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.17 -47.15 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.945 -178.025 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -141.28 158.9 43.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -175.151 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.9 tt -155.17 109.29 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -176.728 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.76 -149.54 10.52 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.79 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.68 87.34 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.342 2.028 . . . . 0.0 111.839 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.904 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 42.8 t80 -71.18 -46.37 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.655 -175.833 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.0 164.41 29.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.646 -176.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -120.49 82.93 1.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.294 0.569 . . . . 0.0 109.796 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -80.22 -24.92 39.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.063 -177.178 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.45 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 73.3 m-85 57.88 27.05 14.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.451 177.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 p -90.7 104.69 9.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 111.504 -178.678 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 122' ' ' ASN . 56.3 Cg_endo -72.06 -31.15 12.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.723 2.282 . . . . 0.0 112.941 -176.285 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.61 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 64.0 tt0 -82.8 -34.72 26.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.279 0.561 . . . . 0.0 110.571 -177.349 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 m -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.834 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -91.23 141.66 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.215 -174.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' MET . 21.4 pt -116.72 158.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.439 178.645 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -110.07 112.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.961 179.027 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -93.68 153.13 18.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.96 159.93 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.45 -177.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.33 -129.8 9.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.233 -178.253 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -120.12 146.36 46.03 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.0 tp -51.15 103.03 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.017 0.823 . . . . 0.0 111.242 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.72 -25.07 3.8 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.925 -178.112 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t -100.07 110.73 23.02 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.0 110.238 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -100.88 23.41 10.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.028 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.6 m -66.09 -21.07 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.293 -174.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -145.15 104.61 3.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.372 . . . . 0.0 110.775 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 51.9 m -127.1 148.58 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.013 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 m -127.36 143.92 51.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.9 0.381 . . . . 0.0 111.263 -177.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.61 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 46.6 t-80 -63.99 132.91 52.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.371 176.536 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 t -77.68 139.9 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -112.13 13.04 20.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.886 177.524 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' A' ' 101' ' ' PRO . 93.7 m-20 -115.22 130.06 56.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.201 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.22 29.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.51 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 122' ' ' ASN . 41.5 ttm -136.51 100.36 4.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.064 179.245 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.8 t -142.57 135.01 27.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.802 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.56 120.08 32.05 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 174.102 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.0 m -69.27 120.52 15.22 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 123.509 0.506 . . . . 0.0 110.538 -176.418 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.18 127.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.482 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.904 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -124.43 140.3 12.48 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -175.724 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.589 ' HB3' HD21 ' A' ' 37' ' ' LEU . 39.3 tp -118.8 118.17 30.85 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.268 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.9 m -97.18 93.45 6.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.175 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.6 m -91.16 142.66 27.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.692 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 112.01 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.918 0.39 . . . . 0.0 110.488 177.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.707 -177.972 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 25' ' ' ARG . 1.8 mpt_? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.71 0.29 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -115.92 77.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.209 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 m -114.75 151.55 33.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.09 21.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 112.009 -177.626 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -120.96 1.79 10.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 172.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.3 m-20 -83.78 137.38 41.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.203 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.8 Cg_exo -47.44 -47.59 17.37 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.343 2.695 . . . . 0.0 113.69 -171.242 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.82 26.05 8.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.932 -172.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.88 140.19 55.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.23 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 63.0 mt-30 -120.87 125.46 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.109 -175.137 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.86 151.55 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 -178.564 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -148.84 170.79 17.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.491 179.637 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.6 mt -115.82 144.0 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -58.98 162.15 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.051 -177.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -82.92 51.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 m -83.94 -73.95 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.264 -176.66 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -102.07 -64.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.527 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -149.77 -179.62 7.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 8.6 ptpp? -58.74 -38.41 78.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -169.761 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.747 ' HA ' HD12 ' A' ' 37' ' ' LEU . 72.4 m -112.49 28.27 8.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -176.625 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -145.5 90.14 1.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.15 -179.111 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.42 -162.75 29.11 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.064 -178.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 1.9 mp0 -78.87 148.53 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 110.406 -178.621 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.5 tp -87.24 120.01 28.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.79 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -114.57 123.13 48.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.565 174.178 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.24 149.63 13.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.116 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.4 t80 -81.55 92.75 6.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.698 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.798 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.8 tp -81.31 -167.92 1.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.794 -176.071 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.798 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 60.9 tttm -76.65 41.74 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.674 0.75 . . . . 0.0 110.816 -177.694 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -167.81 -48.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.844 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.89 -160.16 30.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.015 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m95 -72.07 121.12 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.1 -178.432 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -133.07 140.53 47.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.549 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.544 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 61.1 mtp -72.12 153.35 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 178.345 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.6 t -103.94 130.85 53.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.903 0.382 . . . . 0.0 111.18 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.0 t -83.84 144.2 29.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.505 ' HA ' HD12 ' A' ' 128' ' ' LEU . 66.9 p -68.68 -16.13 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.734 -174.834 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -82.93 12.76 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 110.687 -178.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.1 155.05 41.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -176.177 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.21 18.48 9.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.542 178.1 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.45 71.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.351 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -85.31 148.28 26.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.133 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 p -76.33 159.88 30.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -74.72 42.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.7 mptp? -120.31 130.47 54.46 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.895 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' H ' ' A' ' 92' ' ' LEU . 18.4 tm0? -78.59 120.45 23.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.076 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -94.14 128.4 40.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 51.2 mt-10 -78.54 44.15 0.51 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -171.239 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.59 67.73 80.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.5 Cg_endo -86.96 0.78 7.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.361 2.708 . . . . 0.0 112.583 -175.726 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -60.46 -15.64 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.01 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.38 -17.08 64.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 177.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.94 16.32 21.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.158 -178.17 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.664 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 35.9 p -57.38 -38.92 75.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.684 -177.231 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 67.7 mmtt -68.99 -23.99 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.671 -176.524 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.38 -45.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.33 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 176.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.3 -44.9 93.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.549 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.39 -25.81 67.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 177.024 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' SG ' ' A' ' 44' ' ' CYS . 8.3 tp -89.97 6.02 43.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.721 -178.773 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.4 t30 69.04 41.73 1.38 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.245 176.166 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 66.9 m -133.62 177.02 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.683 176.473 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.48 -148.34 14.03 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.84 -177.052 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.22 156.15 70.35 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.46 -178.175 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.664 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 11.5 Cg_endo -87.13 118.3 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.185 2.59 . . . . 0.0 112.063 178.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.0 mt -78.52 -46.85 18.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.769 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -135.84 143.77 45.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 -175.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 41.7 tp -146.12 115.9 7.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.131 176.806 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.06 -151.66 23.69 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.566 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.44 102.85 0.14 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.521 2.147 . . . . 0.0 111.984 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 56.1 t80 -97.98 -66.4 0.9 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.421 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 59.7 mt -124.6 -176.83 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.271 178.094 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 16.9 ptpt -128.95 75.54 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.061 0.458 . . . . 0.0 111.55 -174.396 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 m -75.82 -26.99 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 97' ' ' LYS . 30.6 m-85 43.61 67.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 175.363 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -134.65 95.45 15.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.197 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.36 10.42 0.57 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.758 2.972 . . . . 0.0 114.054 -173.177 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -126.47 3.54 6.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.228 0.537 . . . . 0.0 110.425 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -120.99 -29.23 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.443 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 7.3 m -102.02 130.91 48.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.935 178.121 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' MET . 33.1 pt -105.49 157.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 0.0 110.729 -178.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.0 tt -118.18 126.33 74.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 175.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.9 m -104.38 156.02 18.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 -176.762 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -125.39 149.86 47.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.415 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.99 -154.24 19.29 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.58 -176.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -87.38 150.48 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.5 113.24 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.918 179.452 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.66 -21.38 11.49 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.468 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -88.24 117.03 26.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.081 0.467 . . . . 0.0 111.022 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -106.71 28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -89.1 3.86 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.196 -174.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.8 94.09 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.242 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 20.3 m -136.29 149.61 48.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.013 0.435 . . . . 0.0 111.562 -175.335 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 m -142.3 151.29 41.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 175.646 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.66 131.21 45.79 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.03 179.021 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 123.58 19.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.365 -174.014 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 121' ' ' ARG . 21.4 ttt85 -103.97 58.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.776 0.798 . . . . 0.0 109.352 175.552 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -154.03 139.12 17.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.25 179.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -74.34 -29.82 61.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.624 -173.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.2 ptm -85.04 62.46 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -109.57 88.17 2.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.259 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.24 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.747 174.017 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -89.24 126.46 35.51 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.687 -176.017 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.9 tt -83.28 127.14 33.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.681 -177.702 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -128.84 167.75 20.86 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.551 -178.253 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 51.8 tp -125.05 127.87 47.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -110.93 99.93 8.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.6 m -97.99 156.36 16.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.411 0.148 . . . . 0.0 110.682 -177.572 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.18 97.62 0.19 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.079 0.466 . . . . 0.0 110.077 174.073 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.583 ' OE2' ' HG2' ' A' ' 43' ' ' LYS . 87.4 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.683 -177.551 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.65 ' N ' ' HG ' ' A' ' 115' ' ' SER . 35.6 mtt85 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.13 128.84 36.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.14 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -127.44 159.45 34.46 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -75.66 14.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.539 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.472 ' HD1' ' HG3' ' A' ' 79' ' ' LYS . 48.6 m-85 -110.65 -6.32 14.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.439 174.402 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.9 m-20 -69.04 136.51 89.5 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.19 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 45.5 Cg_exo -58.15 -27.5 80.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.688 2.926 . . . . 0.0 113.829 -174.419 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -115.38 18.86 15.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.228 -177.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 63.6 t80 -60.28 128.02 34.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.038 0.447 . . . . 0.0 110.373 -179.272 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 46.3 mt-30 -103.32 109.89 21.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -174.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.3 151.92 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -150.29 147.82 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 71.6 mt -101.85 117.51 35.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 167.2 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -81.79 -96.22 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -168.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -115.28 -97.85 0.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.165 -169.721 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 p 46.8 -97.52 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.396 0.679 . . . . 0.0 112.098 -176.392 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.15 -51.87 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -170.03 172.46 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.25 -15.16 62.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -165.221 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 55.9 m -116.13 14.51 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 175.542 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 12.4 pm0 -150.09 83.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.654 0.74 . . . . 0.0 109.587 174.767 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.3 -156.62 8.37 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.724 -175.212 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -79.9 137.43 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.218 -178.178 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.57 109.95 11.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.34 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 48.8 mt-10 -112.62 127.32 56.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.699 175.469 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -124.31 154.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -175.429 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 11.3 t80 -93.41 91.08 6.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.848 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.97 -72.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.243 -173.575 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -149.65 -47.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -174.572 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.03 -27.04 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.696 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.55 -145.58 13.11 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.463 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -80.56 117.17 21.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.167 0.508 . . . . 0.0 110.321 176.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -126.25 139.05 53.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.68 -176.125 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 69.7 mtp -76.61 147.92 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.4 t -101.68 129.0 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.81 0.338 . . . . 0.0 110.433 178.592 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.33 132.83 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.697 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 1.1 p -74.49 2.32 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -175.677 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -86.12 5.3 34.47 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 172.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 14.2 t -68.77 150.52 47.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.553 -173.613 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 58.27 22.02 8.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.972 176.284 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 43.29 82.05 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.974 177.112 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 63' ' ' SER . 2.7 mmp_? -69.43 145.91 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 0.0 110.011 175.752 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -69.73 156.38 39.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.447 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -76.39 45.09 0.37 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.385 0.612 . . . . 0.0 110.807 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -150.12 162.34 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.82 122.42 16.88 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.249 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -73.62 142.48 46.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.276 -171.262 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -90.96 15.36 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.255 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.54 74.71 13.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.009 0.433 . . . . 0.0 110.121 177.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.98 -14.32 5.2 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.341 2.028 . . . . 0.0 112.745 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.9 p -66.18 -5.91 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.255 -174.76 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -62.39 -25.87 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.036 0.446 . . . . 0.0 110.11 175.175 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.22 21.2 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.282 -173.318 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.2 m -55.4 -32.75 62.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.728 0.299 . . . . 0.0 111.543 178.484 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.472 ' HG3' ' HD1' ' A' ' 29' ' ' TYR . 42.5 mmtm -66.03 -31.01 71.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.507 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.03 -50.56 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 109.874 177.847 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.28 -37.7 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.039 178.287 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.57 -39.19 87.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.044 179.037 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -68.9 -19.18 64.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.23 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' H ' ' A' ' 37' ' ' LEU . 10.4 mp -102.36 11.34 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 111.047 176.496 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 62.33 41.5 10.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.773 0.797 . . . . 0.0 111.286 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.4 m -122.63 165.12 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.418 171.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.63 -139.19 1.89 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.101 -173.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.06 151.88 64.31 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.572 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 66.3 Cg_endo -80.22 124.95 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.046 2.497 . . . . 0.0 112.566 178.904 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.42 -36.84 57.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 p -152.36 150.87 30.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -175.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -148.17 132.88 17.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.731 177.324 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.41 -159.46 29.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.426 179.294 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.67 79.96 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.064 2.509 . . . . 0.0 111.973 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 10.7 t80 -90.03 -34.78 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.488 -177.432 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 95' ' ' PHE . 4.4 mp -137.94 179.88 6.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 178.681 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 59.9 pttt -161.11 121.02 2.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 110.921 173.434 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.6 p -89.27 -14.67 35.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.286 0.565 . . . . 0.0 110.533 176.017 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 63.82 22.22 12.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.241 174.161 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.462 ' HB ' ' OG ' ' A' ' 103' ' ' SER . 19.1 m -101.53 108.12 54.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.106 0.479 . . . . 0.0 110.154 176.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.73 11.25 3.16 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.198 2.599 . . . . 0.0 114.413 -170.465 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -129.99 6.17 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 178.248 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.462 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 57.5 p -110.52 -9.93 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.4 0.619 . . . . 0.0 109.822 174.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 p -125.93 141.96 51.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.055 -176.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 pt -113.13 157.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.956 178.013 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -131.66 114.2 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.322 0.582 . . . . 0.0 110.063 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 28.4 m -86.54 153.82 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.604 -175.437 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.43 166.23 18.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.795 0.331 . . . . 0.0 111.151 -179.258 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.2 -117.67 4.6 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.624 174.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.05 125.41 29.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.363 -169.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.67 123.04 16.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.192 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.76 -12.59 53.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.793 177.145 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -78.54 92.97 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.888 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.22 64.39 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.712 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.65 ' HG ' ' N ' ' A' ' 25' ' ' ARG . 23.5 m -153.47 -54.74 0.11 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.83 179.302 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.31 61.86 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.556 0.693 . . . . 0.0 109.683 176.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 58.7 m -111.04 144.84 39.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.711 -177.276 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -108.26 160.07 16.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.731 -176.055 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -83.97 134.1 34.67 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.001 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -74.97 70.14 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.004 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -79.7 63.74 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.597 0.713 . . . . 0.0 109.566 176.292 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.61 137.28 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.459 179.185 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.21 48.17 1.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.129 0.49 . . . . 0.0 110.53 -177.552 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -149.3 29.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.452 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.48 143.14 27.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.212 0.53 . . . . 0.0 110.688 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.448 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 39.5 m80 -123.37 146.53 47.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.146 178.903 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 126.12 30.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.697 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -66.87 112.49 4.32 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.239 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' LEU . . . -95.49 128.6 9.58 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.534 178.567 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 92' ' ' LEU . 45.0 tp -121.7 113.91 20.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.4 m -100.58 104.18 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.611 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 24.5 m -101.28 142.09 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.751 0.31 . . . . 0.0 110.935 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.89 128.42 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.731 176.222 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.618 178.297 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 25' ' ' ARG . 20.6 mtt85 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.34 60.72 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 109.539 174.27 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -130.61 145.76 51.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.974 179.352 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.07 19.83 0.22 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -173.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -108.05 -2.84 19.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.12 0.486 . . . . 0.0 110.0 174.019 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -95.72 143.19 25.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 178.817 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.61 -6.54 17.04 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.799 2.332 . . . . 0.0 111.933 179.297 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -103.64 4.46 35.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.15 118.62 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.145 0.498 . . . . 0.0 110.46 -176.466 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.15 102.4 14.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.65 -176.087 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 161.96 36.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.522 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 4.7 ptp180 -154.77 174.94 14.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.194 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 44' ' ' CYS . 63.6 mt -111.35 128.75 56.06 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 170.334 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 49' ' ' GLU . 40.9 p -63.21 151.71 39.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 119.525 -0.274 . . . . 0.0 110.597 -176.215 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -46.86 -44.42 19.52 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.294 0.371 . . . . 0.0 111.509 -175.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t 43.2 -95.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.368 1.043 . . . . 0.0 112.535 171.298 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -114.76 -52.62 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.225 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 8.2 t -141.65 -176.55 4.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.015 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.34 -64.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -172.579 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.623 ' HA ' HD12 ' A' ' 37' ' ' LEU . 88.9 m -88.76 33.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 0.0 111.706 -174.272 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 10.6 pt20 -159.54 78.92 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.413 175.414 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.41 -171.06 20.92 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.574 -176.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.453 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.8 mp0 -73.83 133.27 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.523 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.21 111.15 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.175 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' HG23 ' A' ' 38' ' ' THR . 38.2 tt0 -111.88 127.05 55.72 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 52' ' ' LEU . 27.1 m -118.53 145.88 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.062 0.458 . . . . 0.0 111.005 -177.779 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -93.04 108.77 20.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.076 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 50' ' ' VAL . 5.6 mp -95.13 -172.44 2.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.674 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.54 -5.24 35.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.754 0.311 . . . . 0.0 111.639 -176.016 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.36 29.75 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 178.354 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.37 -172.67 14.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.73 -1.224 . . . . 0.0 113.763 173.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 93.1 m95 -91.77 136.73 32.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -176.254 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -140.93 142.7 34.37 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 104' ' ' SER . 43.1 mtm -82.14 148.37 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 110.418 177.083 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -91.34 138.15 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.585 -178.568 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.39 147.77 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.8 t -80.22 47.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.892 -178.288 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.114 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.4 m -141.71 154.98 45.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.549 -177.62 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 57.69 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.888 0.742 . . . . 0.0 110.977 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.08 31.43 1.96 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 176.71 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.44 119.32 37.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.321 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -78.09 170.36 16.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -80.7 49.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.35 0.595 . . . . 0.0 111.006 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -143.56 162.75 35.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.44 93.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.97 0.414 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.64 -179.719 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.29 35.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -167.625 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.04 86.59 4.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -87.61 -18.28 2.55 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.559 2.173 . . . . 0.0 113.452 -175.543 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.467 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.4 p -70.16 -3.68 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.64 -28.55 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.123 0.487 . . . . 0.0 110.33 174.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.11 24.95 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.847 -177.77 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.296 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.623 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.4 mtpt -62.5 -28.28 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.479 -176.052 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.1 -45.25 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.9 m -64.16 -32.96 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.335 177.682 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.93 -31.63 71.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 177.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 5.3 mmp_? -65.28 -33.25 75.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.468 177.877 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.2 2.11 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 63.09 47.24 4.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.563 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 58.1 m -123.43 170.24 10.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.178 175.126 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -72.3 -177.63 30.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.35 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.55 149.32 88.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.142 0.496 . . . . 0.0 111.348 -174.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 132' ' ' CYS . 31.9 Cg_endo -65.99 127.63 18.08 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.124 2.549 . . . . 0.0 113.209 -177.802 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.64 -34.23 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.988 178.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -143.59 135.57 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -177.061 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 130' ' ' LEU . 56.6 tp -133.65 91.93 2.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.9 -152.08 8.96 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.44 133.46 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 -178.739 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.736 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.5 t80 -118.5 -63.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -176.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 90.7 mt -130.85 152.1 50.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.645 -179.279 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -93.87 80.83 4.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.315 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.7 m -74.26 -36.94 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.151 -177.902 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.4 t80 57.02 79.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.692 . . . . 0.0 110.858 179.227 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.7 m -125.42 97.46 36.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 177.867 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.93 -43.56 35.07 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.189 3.259 . . . . 0.0 114.397 -170.554 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -87.65 -34.18 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.864 0.364 . . . . 0.0 111.325 -176.303 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 t -98.86 57.26 1.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.641 -178.084 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' MET . 17.5 p -154.59 124.56 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.002 172.758 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -129.87 153.58 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.236 0.541 . . . . 0.0 111.921 -175.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.23 118.58 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.461 172.347 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.9 t -110.58 159.06 17.89 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.313 -172.846 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.01 175.39 8.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.93 -176.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.63 -156.95 20.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.542 -179.422 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -67.63 137.84 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.759 177.371 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.69 106.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.708 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 121.36 -13.4 9.5 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.801 178.735 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -96.24 124.34 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.426 178.449 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.456 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.8 m-85 -106.53 36.19 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.282 0.563 . . . . 0.0 110.156 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 m -91.78 -10.61 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.287 -177.498 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -141.22 74.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.09 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 13.2 m -114.2 151.64 32.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -176.821 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -119.95 160.52 22.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.919 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -73.37 135.22 44.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.026 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -63.61 121.22 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.148 0.499 . . . . 0.0 111.785 -172.242 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 13.2 tpp85 -114.77 32.77 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.224 1.012 . . . . 0.0 108.671 174.528 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -115.92 122.43 45.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.959 -176.145 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.62 -35.82 52.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 111.409 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.54 28.23 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.113 177.668 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.24 82.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.556 179.37 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -73.48 111.2 8.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.783 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -54.71 139.56 38.68 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -173.646 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.1 tt -81.32 129.7 34.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.561 -173.771 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.736 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -120.62 129.42 7.86 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.666 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 92' ' ' LEU . 56.0 tp -97.97 113.23 25.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -98.13 101.85 13.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.382 -179.161 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.4 m -98.5 158.99 15.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.899 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.426 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 30.6 mt -64.93 91.16 0.09 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.079 174.191 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.591 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 42.3 tt0 . . . . . 0 C--O 1.252 1.217 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.139 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.188 0.518 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -108.49 104.41 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.254 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 29' ' ' TYR . 52.6 p -103.22 150.44 23.7 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.254 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.5 22.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.528 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 80.0 m-85 -110.33 -14.17 14.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.898 173.901 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -72.93 134.0 81.51 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.13 -13.87 34.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.827 2.351 . . . . 0.0 112.4 -177.183 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -106.11 14.69 27.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.826 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -79.97 120.91 24.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.395 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 17.0 mm-40 -89.82 107.16 18.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -175.685 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.79 154.75 35.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.018 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' HH11 ' A' ' 39' ' ' ARG . 6.5 ptm180 -155.39 167.29 30.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.74 177.251 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.6 mt -97.43 129.46 44.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.56 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.8 p -60.9 156.58 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.62 0.724 . . . . 0.0 111.764 -175.003 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -79.69 43.41 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.972 -176.959 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.48 -68.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.607 -176.725 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -116.53 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.363 -176.143 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 15.2 m -129.45 153.92 47.48 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -66.97 -10.84 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.169 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 1.043 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.0 t -132.37 28.37 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.474 0.654 . . . . 0.0 109.938 175.184 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HG3' ' HB2' ' A' ' 42' ' ' SER . 41.6 mt-30 -146.92 103.68 3.64 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.65 176.902 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -152.46 10.57 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.228 -178.492 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.8 143.74 30.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -74.7 101.9 4.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.104 0.478 . . . . 0.0 109.814 174.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -102.21 122.48 44.27 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.418 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.47 150.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -172.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t80 -107.52 106.24 16.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.477 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -101.31 -76.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.099 -178.294 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -126.58 -50.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -177.331 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -71.34 0.28 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.993 179.272 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . -166.12 -142.06 3.32 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.35 106.91 18.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.91 0.386 . . . . 0.0 110.349 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -118.61 151.76 37.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE1' HG21 ' A' ' 98' ' ' THR . 47.6 mtp -88.15 131.1 34.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.605 -176.576 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.81 129.47 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.859 0.362 . . . . 0.0 110.586 178.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.05 140.29 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.4 p -64.15 -18.69 64.69 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.437 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.14 44.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.401 0.62 . . . . 0.0 111.086 -178.598 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -99.37 159.45 15.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.77 175.734 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 57.94 30.62 19.42 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.853 0.461 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.27 11.83 64.98 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.87 179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.4 141.6 36.71 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.48 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 7.6 t -92.64 155.61 17.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.02 -178.681 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.2 m -71.2 76.37 0.7 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.736 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -146.08 170.94 15.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.18 111.96 20.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.48 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 77.5 m95 -91.57 128.11 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.846 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -96.08 54.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.595 0.712 . . . . 0.0 110.227 -175.229 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 5.2 t70 -146.8 58.63 4.5 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.4 173.72 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 2.8 Cg_exo -76.63 -7.29 17.6 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.982 2.455 . . . . 0.0 111.916 -175.833 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 p -59.3 -19.7 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.709 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -66.6 -17.66 64.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 177.399 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 19.08 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.872 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -57.48 -39.57 76.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 17.1 tppt? -53.06 -46.27 68.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.513 177.737 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.09 -48.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -177.571 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -61.14 -41.61 97.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.02 0.438 . . . . 0.0 110.687 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -69.53 -32.83 71.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.778 -177.83 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 6.2 mmp_? -65.96 -28.64 69.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.993 0.425 . . . . 0.0 110.615 176.861 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.439 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.84 13.1 15.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.969 177.51 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 63.08 35.74 12.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.7 0.762 . . . . 0.0 110.931 179.269 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.7 m -112.72 170.13 8.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.243 176.383 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -87.01 156.68 54.85 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.759 0.314 . . . . 0.0 110.692 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 7.6 Cg_exo -70.09 121.01 7.64 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.891 2.394 . . . . 0.0 112.116 179.226 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -81.2 -34.46 32.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.728 -178.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -165.46 149.73 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.923 HD12 HD13 ' A' ' 130' ' ' LEU . 9.7 tt -146.72 132.51 18.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.447 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.56 -160.4 29.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.366 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.37 111.79 3.33 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.869 2.38 . . . . 0.0 111.651 178.444 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.744 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 79.0 t80 -106.91 123.36 48.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -177.281 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.3 tp 70.42 154.98 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.822 0.82 . . . . 0.0 111.827 173.427 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HG2' ' HE1' ' A' ' 126' ' ' HIS . 94.4 mttt -96.82 79.88 2.98 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.513 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.408 HG21 ' HE1' ' A' ' 58' ' ' MET . 0.2 OUTLIER -67.3 -32.22 73.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.513 -171.412 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.603 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 25.9 m-85 62.81 13.71 6.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.81 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 125' ' ' CYS . 22.0 m -88.0 108.46 21.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.523 -174.615 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 94.7 Cg_endo -105.75 41.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.969 3.113 . . . . 0.0 111.595 173.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -139.16 -75.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.47 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -82.12 13.63 3.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.115 0.484 . . . . 0.0 111.406 -176.141 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.7 p -108.42 149.6 28.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.023 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.5 pt -128.95 145.46 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 0.0 111.6 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.8 120.08 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.758 173.213 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.8 m -97.42 141.94 29.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.93 0.395 . . . . 0.0 111.01 -178.277 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.45 168.48 10.34 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.86 -123.04 5.75 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.149 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.71 144.13 49.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -177.057 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.61 116.89 2.52 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.486 0.491 . . . . 0.0 111.629 -178.03 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.44 46.37 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.158 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -103.55 116.86 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.199 0.523 . . . . 0.0 111.312 -177.848 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -97.38 48.24 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 p -66.41 -52.32 47.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.488 -176.56 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -139.55 111.22 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.947 0.403 . . . . 0.0 110.291 178.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 62.4 m -111.24 159.41 17.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.954 178.312 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 p -137.61 154.78 49.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.712 0.292 . . . . 0.0 110.99 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -51.2 128.96 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.75 177.832 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.4 t -67.98 97.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -177.082 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -93.51 79.72 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 178.927 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -142.34 168.32 20.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 177.718 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.18 -45.18 57.9 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 0.0 110.517 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.1 ptm -143.58 99.64 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.283 0.563 . . . . 0.0 110.773 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' THR . 5.6 t -77.2 141.34 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.007 178.482 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.614 ' HE1' ' HG2' ' A' ' 97' ' ' LYS . 84.0 m-70 -103.23 122.22 44.31 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 171.48 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 p -70.54 138.2 50.76 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.043 -179.259 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.9 tp -69.26 114.17 7.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -98.86 126.82 9.04 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.905 -178.076 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.923 HD13 HD12 ' A' ' 92' ' ' LEU . 60.7 tp -119.61 124.72 47.01 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.2 m -112.69 108.76 17.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.059 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 40.0 m -104.3 153.19 21.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.694 0.283 . . . . 0.0 110.389 -178.302 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.43 98.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.639 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 1.043 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 43.5 mt-10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.896 -176.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 25' ' ' ARG . 8.3 mmm180 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.745 0.307 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt -111.56 70.96 0.73 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.105 0.478 . . . . 0.0 109.811 174.476 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 23.9 m -85.37 142.11 29.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.315 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.44 22.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.21 0.529 . . . . 0.0 111.878 -178.514 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' H ' ' C ' ' A' ' 27' ' ' SER . 61.9 m-85 -108.79 -19.11 13.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 172.457 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.22 151.71 85.87 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.358 -172.715 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.64 -51.93 7.21 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.814 2.343 . . . . 0.0 112.916 -176.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.2 17.87 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.115 -172.795 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 81.1 t80 -86.56 122.19 30.15 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.037 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -114.81 137.58 51.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.113 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.55 150.69 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.165 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.41 142.27 47.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.196 0.522 . . . . 0.0 110.674 -177.926 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 78.6 mt -101.48 125.88 48.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.0 p -62.9 156.25 24.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.464 -176.01 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -73.13 56.05 0.44 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.211 0.529 . . . . 0.0 111.548 179.863 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -62.11 -55.4 29.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 177.538 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -145.38 -81.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.969 175.199 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -97.3 155.61 16.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 173.018 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -95.42 26.31 3.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -170.597 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 91.5 m -120.53 15.95 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 167.31 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -156.13 146.95 22.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.617 179.198 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 95' ' ' PHE . . . 142.22 -169.87 25.23 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.253 176.89 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -61.77 137.87 58.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.461 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.9 tp -96.7 116.87 29.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -176.019 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -112.97 135.25 53.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.365 171.568 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.86 153.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.959 -177.327 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -86.59 102.1 13.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.088 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD13 ' A' ' 105' ' ' ILE . 79.1 mt -89.42 -177.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.131 178.132 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 35.6 ttpt -56.93 -38.19 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.958 0.409 . . . . 0.0 110.984 178.62 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -99.07 5.48 46.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.836 -175.598 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.18 -167.63 14.74 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.242 -0.98 . . . . 0.0 113.624 176.027 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.7 m95 -73.83 134.3 43.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.764 0.316 . . . . 0.0 111.557 -175.268 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -146.52 155.86 42.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' HG12 ' A' ' 105' ' ' ILE . 81.6 mtp -87.51 139.34 30.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.283 -174.73 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 134.57 29.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.556 179.192 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.805 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 84.2 m -97.48 149.68 21.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.178 177.075 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.676 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.7 m -79.02 44.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 178.373 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -145.14 35.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.418 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -112.64 149.52 32.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.51 -172.153 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.77 20.76 9.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.309 0.644 . . . . 0.0 112.734 176.028 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.93 -2.9 82.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.34 -178.587 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 71' ' ' TRP . 6.8 mmm180 -73.76 116.28 14.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.82 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 71' ' ' TRP . 10.1 t -73.96 173.27 10.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.265 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 p -73.77 68.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 111.969 -173.399 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -167.4 166.94 14.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -78.94 133.52 36.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.304 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 87.0 m95 -110.3 172.45 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 -178.068 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -82.39 -3.9 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -164.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t0 -124.22 90.1 51.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.345 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -97.63 -11.9 0.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.072 2.515 . . . . 0.0 113.307 177.14 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 p -76.19 -7.34 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.703 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 83.7 mm-40 -58.93 -24.81 62.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.874 0.368 . . . . 0.0 111.503 177.32 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.18 26.15 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.636 -174.803 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -57.61 -43.87 85.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.646 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.17 -31.76 71.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.775 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.11 -55.59 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.141 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.3 m -59.72 -41.57 91.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.512 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.55 -42.39 99.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.873 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -33.48 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.292 -179.166 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -85.44 8.11 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.069 178.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 63.63 37.72 10.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 177.524 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.5 m -114.76 173.27 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.19 -163.6 38.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.77 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 3.6 m-20 -58.41 152.37 44.31 Favored Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 122.831 0.452 . . . . 0.0 111.709 -177.282 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.5 Cg_endo -77.93 115.17 3.75 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.957 2.438 . . . . 0.0 111.874 178.599 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 133' ' ' LEU . 2.1 tt -80.62 -43.29 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.925 -178.075 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.1 m -147.27 142.99 27.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.286 -175.809 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 130' ' ' LEU . 33.5 tp -136.96 100.86 4.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.194 176.693 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -172.58 -157.29 14.04 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.643 -176.071 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.74 128.07 20.16 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.5 2.133 . . . . 0.0 112.164 -179.572 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE2' ' HA2' ' A' ' 46' ' ' GLY . 42.1 t80 -132.13 98.37 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.629 179.507 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.8 mt 72.68 149.04 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.014 0.822 . . . . 0.0 111.402 -179.539 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 77.85 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.857 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.4 m -70.87 -28.59 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -177.009 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 55.49 79.8 0.15 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.037 0.446 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m -138.18 79.51 31.41 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.101 177.552 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.58 62.62 7.15 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.434 2.756 . . . . 0.0 112.572 -175.324 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -154.98 -56.48 0.1 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.249 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 t -85.07 -5.2 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.219 0.533 . . . . 0.0 110.002 178.387 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.805 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 33.9 p -82.45 136.85 34.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -178.279 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.843 HD13 HD11 ' A' ' 52' ' ' LEU . 47.0 pt -125.94 152.65 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.382 0.611 . . . . 0.0 111.542 -178.412 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.2 121.85 63.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.186 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -108.64 151.87 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.287 -172.882 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.89 147.88 50.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.671 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.05 -124.1 3.66 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.097 -177.751 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -101.54 134.81 44.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.543 -178.213 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.52 109.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -178.88 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.39 -7.18 26.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.5 t -115.92 119.43 35.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.168 0.509 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.86 62.2 6.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.657 0.741 . . . . 0.0 109.469 177.266 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m -81.97 -67.82 0.75 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.242 -176.89 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -112.83 84.69 2.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.293 0.568 . . . . 0.0 109.654 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.6 m -101.43 144.95 29.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.414 -178.016 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -110.06 145.98 36.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -81.74 123.24 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.318 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.6 t -99.42 128.57 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 111.956 -170.119 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -110.74 42.06 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 124' ' ' MET . 50.6 m-80 -121.45 142.29 50.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -178.524 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.32 -13.19 59.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.426 179.263 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.495 ' HG2' ' HB3' ' A' ' 122' ' ' ASN . 26.9 ptm -83.02 14.17 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.172 0.51 . . . . 0.0 110.604 178.297 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 80.61 9.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.169 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -58.46 129.17 40.79 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.909 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.4 m -68.24 127.1 31.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.549 -178.646 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.3 tt -94.8 136.91 34.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.078 -178.082 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -133.82 153.33 20.83 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.337 -179.261 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 92' ' ' LEU . 60.0 tp -114.77 134.43 55.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.4 m -113.1 98.7 7.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.658 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 21.6 m -92.9 141.78 28.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.251 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 90' ' ' LEU . 87.0 mt -67.33 147.4 53.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.402 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.435 174.952 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 114' ' ' PHE . 2.8 tt -93.78 82.39 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -176.833 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.1 p -111.48 165.42 12.0 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 -177.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.05 25.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.824 178.189 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.2 m-85 -130.4 25.86 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.739 172.699 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.78 149.32 36.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.908 174.858 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.09 -8.73 22.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 123.28 2.653 . . . . 0.0 113.325 -173.097 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -113.88 10.21 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 179.089 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -78.58 129.93 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.375 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -127.63 132.52 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.077 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.32 156.15 44.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.83 157.21 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.123 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 44' ' ' CYS . 83.5 mt -105.86 144.28 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.027 178.742 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -78.84 171.33 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.729 -172.84 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -73.04 56.84 0.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.226 177.178 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -78.11 -56.37 4.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.98 -178.802 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -155.93 -44.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.296 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.706 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 3.4 mmmp? -73.1 -20.52 60.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -164.716 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 1.038 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.1 t -122.53 30.54 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.367 0.603 . . . . 0.0 111.145 -177.859 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.61 115.92 3.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 175.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -155.26 25.76 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.562 179.172 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.79 136.87 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -178.575 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.9 tp -86.52 112.09 21.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -104.68 132.7 50.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.016 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG23 ' HG ' ' A' ' 52' ' ' LEU . 27.6 m -119.18 150.1 21.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -178.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -89.47 106.85 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.15 178.752 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' HG23 ' A' ' 50' ' ' VAL . 88.7 mt -125.8 -158.36 0.84 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.075 -179.528 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.21 -30.81 66.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.247 0.546 . . . . 0.0 110.961 -178.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.46 22.11 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.253 -178.094 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.89 -143.39 29.91 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.878 -179.348 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.8 m95 -82.03 117.65 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.86 149.57 49.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.134 0.493 . . . . 0.0 111.361 -177.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 mtp -80.24 124.75 29.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.665 -176.713 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.9 126.07 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 0.0 110.204 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -85.34 135.8 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.681 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.428 ' HA ' HD13 ' A' ' 128' ' ' LEU . 16.9 m -59.59 -20.7 57.65 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -171.627 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -88.02 48.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 110.377 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.4 m -108.65 160.35 16.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.38 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 56.97 -96.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.807 178.061 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.6 36.62 1.25 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.539 HH21 HD21 ' A' ' 111' ' ' LEU . 21.2 mmt180 -85.8 132.87 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 110.198 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -76.83 160.69 29.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.866 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 61.55 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.067 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -157.12 151.78 25.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 -176.147 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.11 84.95 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.484 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.96 138.89 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 38.4 mt-10 -83.97 68.87 10.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.36 0.6 . . . . 0.0 111.775 -175.838 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 29.7 t70 -129.78 58.95 41.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.916 168.742 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.535 ' HD3' ' C ' ' A' ' 72' ' ' GLU . 61.0 Cg_endo -96.2 -16.53 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.892 2.395 . . . . 0.0 113.64 -173.133 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.453 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.9 m -65.53 -5.3 7.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.339 -175.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.9 -23.77 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 176.267 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.47 22.82 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -176.358 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.7 m -58.5 -41.69 85.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.807 -178.341 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.93 -30.35 70.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.607 0.242 . . . . 0.0 110.93 -177.366 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.2 -53.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.644 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 12.7 m -59.52 -39.4 83.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.178 178.555 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.85 -39.64 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.229 -178.457 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -73.25 -21.44 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.58 179.471 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.35 9.42 26.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.586 174.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 65.19 41.27 4.55 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.11 177.81 4.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.052 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.9 -141.09 9.14 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.856 176.229 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.82 150.07 81.1 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.023 0.439 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 55.7 Cg_endo -78.2 116.0 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.019 2.479 . . . . 0.0 111.653 175.48 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.5 -48.54 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.069 -175.289 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 5.6 p -135.69 146.1 47.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.024 -175.872 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 128' ' ' LEU . 5.3 tt -151.1 95.35 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 -161.07 29.55 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.083 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.53 114.05 1.7 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.681 2.254 . . . . 0.0 111.683 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.693 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 15.2 t80 -118.81 -43.79 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.889 -174.173 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.597 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -133.58 145.17 49.82 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -172.294 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.9 mttt -91.15 77.77 5.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.737 175.106 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 p -82.65 -48.72 10.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.88 -175.736 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 71.3 m-85 54.47 57.1 6.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.565 0.541 . . . . 0.0 110.853 -178.02 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 84.16 8.6 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.127 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 4.6 Cg_exo -79.84 37.58 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.45 2.767 . . . . 0.0 113.461 -172.144 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -120.78 -48.09 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.074 0.464 . . . . 0.0 110.501 176.577 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -105.78 7.27 32.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.725 -176.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.9 p -94.88 142.56 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -132.46 149.3 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.92 118.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 173.477 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -105.0 157.35 17.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.754 -170.823 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -130.83 168.01 17.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.304 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 118.34 -151.18 17.95 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 144.97 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.397 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD21 HH21 ' A' ' 66' ' ' ARG . 6.1 tt -59.51 102.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 110.2 -178.485 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.64 -10.78 12.45 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -100.07 120.91 40.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.354 -179.116 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.611 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 98.7 m-85 -96.46 41.13 1.11 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.105 -179.9 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.0 t -63.44 -52.03 63.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.891 -176.263 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -132.38 104.6 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -110.79 140.32 45.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.784 177.208 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 t -110.37 156.45 20.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.028 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -66.88 130.95 44.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.686 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 t -61.68 121.27 12.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.49 0.494 . . . . 0.0 111.064 -172.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -137.1 68.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 -177.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -137.9 164.86 27.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.559 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.08 -51.03 71.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.604 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.7 ptp -117.65 141.21 48.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.917 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 45.6 t -138.58 115.14 10.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.848 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -103.43 130.31 50.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.08 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 61.6 m -64.0 133.44 53.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.109 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 61' ' ' SER . 26.2 tp -66.04 107.51 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.48 178.022 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -88.69 122.25 6.31 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.352 -176.681 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 tp -110.37 118.78 37.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.5 m -117.29 110.78 18.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.662 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.694 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 7.2 m -109.77 147.82 32.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.058 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.26 115.28 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.325 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 1.038 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 40.5 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.235 -176.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -48.78 109.07 0.21 Allowed 'General case' 0 C--O 1.225 -0.206 0 O-C-N 124.018 0.824 . . . . 0.0 112.107 -172.556 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 20.0 m -129.61 153.54 47.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.391 176.322 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -74.62 28.49 0.08 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.493 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' H ' ' C ' ' A' ' 27' ' ' SER . 81.5 m-85 -123.86 -12.03 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 173.374 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.5 143.5 97.13 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.193 -175.203 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.63 -51.41 10.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.013 2.475 . . . . 0.0 112.342 -176.636 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -97.58 32.45 2.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.639 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 67.7 t80 -74.37 101.72 4.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.663 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -86.24 114.66 23.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.789 -176.036 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.64 159.37 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 49' ' ' GLU . 2.1 ptp180 -154.16 176.3 12.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.099 -179.001 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.1 mt -109.64 121.29 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 167.639 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 22.7 p -45.17 -87.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -169.902 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -148.39 -76.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.156 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.5 m 67.73 -81.31 0.03 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.489 171.091 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -172.12 -48.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 111.446 -173.253 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 31.7 m -101.46 158.19 16.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.798 -178.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -75.02 -38.18 61.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.42 -175.475 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 74.0 m -117.26 16.82 14.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.045 0.45 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 13.1 mt-30 -138.64 100.35 4.05 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.678 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.3 -171.53 38.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.983 -1.103 . . . . 0.0 113.031 -176.238 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.53 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 15.4 mt-30 -67.75 131.67 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.391 0.277 . . . . 0.0 110.926 -179.783 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.33 129.62 36.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.925 0.393 . . . . 0.0 110.735 178.761 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 36' ' ' ARG . 37.6 tt0 -128.58 130.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.57 154.62 29.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.338 . . . . 0.0 110.973 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -97.45 95.9 7.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.782 -179.238 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD11 HD13 ' A' ' 105' ' ' ILE . 84.2 mt -80.78 -174.13 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.491 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.95 -37.16 83.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.06 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.92 -33.44 75.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 176.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 -167.49 23.75 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.298 -177.537 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.19 124.28 20.45 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 122.365 0.266 . . . . 0.0 110.982 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -140.77 149.01 41.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.822 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 72.0 mtp -79.22 141.61 36.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.638 -177.799 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.34 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.091 177.337 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.3 t -103.17 149.94 24.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 -177.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.0 p -60.45 -23.4 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -170.431 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -77.51 8.82 3.83 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -175.723 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -76.58 147.92 37.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 -178.117 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 59.51 21.67 10.19 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.566 0.746 . . . . 0.0 112.291 174.898 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.76 21.47 79.67 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.471 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.98 146.65 45.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.674 178.128 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 p -90.45 153.02 20.7 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.791 174.646 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.5 m -79.32 43.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.337 0.589 . . . . 0.0 111.129 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -143.86 161.87 37.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.211 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -78.44 97.61 5.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.862 0.363 . . . . 0.0 110.981 -174.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -81.55 173.44 12.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.72 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.64 35.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.538 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 38.0 t70 -152.26 62.43 4.57 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 121.369 0.604 . . . . 0.0 110.162 177.843 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HB2' ' H ' ' A' ' 92' ' ' LEU . 43.3 Cg_endo -103.57 16.38 0.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.044 2.496 . . . . 0.0 113.583 -176.161 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.636 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 46.3 m -117.28 16.03 14.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.838 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -89.01 69.97 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.733 177.172 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 29.49 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.524 178.527 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 m -58.29 -45.92 87.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.085 -175.646 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.612 ' HE3' ' HG3' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -54.61 -37.62 65.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.344 179.405 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.22 -52.77 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.846 0.355 . . . . 0.0 110.11 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.98 -42.24 93.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.194 179.049 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -66.3 -39.78 89.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.561 0.22 . . . . 0.0 111.293 -175.875 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.612 ' HG3' ' HE3' ' A' ' 79' ' ' LYS . 25.1 mmt180 -71.47 -12.41 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.827 0.346 . . . . 0.0 111.388 -179.867 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.39 6.24 47.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.991 0.424 . . . . 0.0 110.329 173.225 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.52 49.61 10.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.344 -176.229 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.59 168.77 13.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.986 -179.213 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.38 -175.91 49.48 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.762 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.57 156.58 42.5 Favored Pre-proline 0 C--N 1.327 -0.393 0 C-N-CA 122.513 0.325 . . . . 0.0 110.975 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 3.5 Cg_exo -73.71 110.07 2.99 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.781 2.321 . . . . 0.0 112.113 -179.734 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.29 -43.67 66.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.021 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -152.2 137.96 17.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.639 -177.122 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 130' ' ' LEU . 55.3 tp -131.49 103.29 6.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 174.672 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.05 -161.31 23.87 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.989 -176.496 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.91 100.12 0.35 Allowed 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 111.823 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.795 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.1 t80 -92.44 -39.26 11.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 -177.588 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.591 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 95.7 mt -137.57 150.05 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.418 -177.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -103.99 57.02 0.72 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.205 0.526 . . . . 0.0 109.909 176.532 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -64.09 -23.94 67.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.547 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 49.47 55.64 9.05 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 111.576 171.438 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -120.88 79.87 32.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.106 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.51 33.56 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.415 2.743 . . . . 0.0 112.813 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -113.98 -48.84 2.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.27 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 m -98.87 1.41 45.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.649 -177.178 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 p -98.17 153.04 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.572 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 52' ' ' LEU . 31.9 pt -125.52 149.18 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 120' ' ' SER . 95.7 mt -124.41 112.89 34.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.396 177.174 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 64.0 m -87.99 114.86 25.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.031 0.443 . . . . 0.0 111.289 -176.713 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.01 91.95 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.67 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.78 -152.29 10.0 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.957 -178.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.68 138.07 58.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.699 0.294 . . . . 0.0 110.68 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.22 107.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.867 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 113.91 -15.14 21.48 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.097 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -93.88 129.53 40.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.397 0.618 . . . . 0.0 111.265 -179.767 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -106.72 44.88 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.593 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.3 t -91.69 -56.55 3.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.927 -176.196 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.26 75.98 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.056 -178.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.6 m -111.41 107.73 17.06 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.225 0.536 . . . . 0.0 110.736 -178.78 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -88.49 151.07 22.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.532 -179.737 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -73.91 68.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.068 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 106' ' ' ILE . 8.7 t 56.88 82.52 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.747 173.418 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 121' ' ' ARG . 15.9 mmt85 -114.03 59.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.439 0.638 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.71 171.03 14.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.626 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.29 -58.47 7.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.171 178.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.3 ptp -99.26 163.79 12.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.743 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 39.0 t -157.57 110.12 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.521 175.414 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -106.35 139.36 40.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.595 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 m -67.15 117.18 8.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 -179.044 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.4 tp -71.76 109.37 5.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.832 -179.248 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.795 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -97.89 126.79 9.0 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.996 -178.863 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 92' ' ' LEU . 53.0 tp -100.27 114.32 27.7 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.513 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.4 m -99.96 90.35 4.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.42 -178.633 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 26.3 m -80.86 137.41 36.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.666 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.21 102.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.034 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 44' ' ' CYS . 35.0 mt-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.037 168.327 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' H ' ' HB2' ' A' ' 115' ' ' SER . 94.8 mt -133.73 66.46 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 179.172 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 19.3 m -92.95 149.74 21.04 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.432 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.25 20.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.23 0.538 . . . . 0.0 111.252 -179.101 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' A' ' 27' ' ' SER . 56.6 m-85 -106.34 -13.68 15.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.479 173.547 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.02 134.99 80.49 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.517 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.28 -15.04 35.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 123.103 2.535 . . . . 0.0 112.879 -175.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.14 4.53 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.095 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -76.3 143.47 40.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 49.7 mt-30 -120.79 133.24 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.916 -176.112 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.497 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.54 153.11 32.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.479 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -140.13 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.4 mt -112.22 127.2 55.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 172.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 37.6 p -69.83 168.22 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -176.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.841 ' HD2' ' H ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -47.76 -68.31 0.2 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.842 0.714 . . . . 0.0 110.793 -176.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m 48.35 -99.03 0.05 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.813 0.696 . . . . 0.0 112.021 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -106.97 -53.72 2.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 69.0 m -139.67 159.74 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.456 -179.735 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -69.88 -2.25 11.79 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.364 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.4 t -137.95 24.01 2.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.822 0.82 . . . . 0.0 109.229 174.764 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 68.3 mt-30 -145.89 89.45 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.666 178.438 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.65 -163.79 30.48 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.387 -176.467 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.554 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 22.4 mt-30 -61.16 136.49 58.08 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.76 0.329 . . . . 0.0 110.979 -179.81 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.89 119.73 30.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.963 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -113.26 129.4 56.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.514 171.267 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.79 151.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.448 -179.316 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 71.3 t80 -92.61 109.95 21.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.374 -178.726 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.4 mt -104.74 -173.77 2.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.727 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 4.4 tmmm? -56.86 -37.36 71.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 109.814 174.41 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.18 9.91 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.732 -179.272 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.29 -154.15 21.33 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.676 177.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.1 m95 -80.67 128.9 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.896 0.379 . . . . 0.0 111.262 -175.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -135.16 137.63 42.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.98 128.65 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.798 176.592 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.27 133.78 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.269 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.25 146.42 25.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD13 ' A' ' 128' ' ' LEU . 87.8 p -63.21 -26.47 68.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -170.199 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.48 41.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.738 -174.553 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -101.61 141.99 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.042 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 60.48 -88.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.047 177.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.44 34.97 1.36 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.051 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.027 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 p -129.9 -155.79 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 -174.443 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.6 t -84.59 -12.92 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -101.98 125.79 48.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -63.57 137.51 58.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.394 -176.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -87.58 163.36 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.17 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -86.39 12.23 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.287 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -152.02 111.7 2.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.42 . . . . 0.0 111.431 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 68.3 Cg_endo -100.81 13.8 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.696 2.931 . . . . 0.0 112.43 175.013 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -81.76 33.88 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.366 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -112.6 -5.02 14.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 110.588 177.709 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.49 17.9 17.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 111.06 -177.689 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -55.72 -37.35 68.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.624 -178.75 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -64.26 -31.81 73.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.998 -179.181 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.08 -45.74 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.073 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.6 m -59.66 -40.52 87.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.118 175.368 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.264 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -65.19 -24.23 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.684 0.278 . . . . 0.0 111.552 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.68 4.86 53.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.939 0.4 . . . . 0.0 110.766 176.574 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 61.22 47.3 7.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.897 0.856 . . . . 0.0 110.32 179.734 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.9 m -117.45 -179.23 3.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.1 -139.47 5.31 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.424 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.39 151.89 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 55.6 Cg_endo -77.24 108.76 2.68 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.778 2.319 . . . . 0.0 111.709 174.106 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -77.9 -28.35 49.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.327 -177.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.3 m -149.51 147.29 28.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -177.215 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.652 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.9 tt -152.43 90.98 1.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -178.697 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.28 -155.44 15.94 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.755 -177.78 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.03 112.75 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.578 2.186 . . . . 0.0 111.879 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.848 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 52.3 t80 -106.94 -41.74 5.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.569 -179.252 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.606 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.0 mt -133.54 165.61 24.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 0.0 111.149 -177.132 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -118.61 43.84 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.668 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 m -68.92 -44.26 73.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -175.76 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 10.7 m-85 59.22 81.61 0.16 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 111.388 -179.36 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 m -106.65 88.26 3.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.918 176.472 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 86.1 Cg_endo -77.98 51.5 3.66 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.975 2.45 . . . . 0.0 113.055 -172.457 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.663 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 63.4 tp60 -160.83 -43.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.171 177.245 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -90.48 -26.1 19.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -178.113 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -79.54 143.76 34.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.062 0.458 . . . . 0.0 110.635 -176.581 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.9 pt -124.02 151.13 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.7 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.34 124.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.236 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 60.7 m -99.66 145.86 27.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 -177.503 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -122.44 168.52 12.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 -176.315 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.12 -118.96 4.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.655 172.271 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.7 122.0 26.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.974 0.416 . . . . 0.0 111.944 -172.549 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.78 124.87 19.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.382 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -7.07 67.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 177.416 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.7 t -106.42 123.88 48.75 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.608 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -98.5 23.44 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.438 177.11 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.415 ' HB2' ' H ' ' A' ' 26' ' ' LEU . 11.7 t -69.16 -24.06 64.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.633 -177.438 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -139.93 88.15 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 110.02 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 59.3 m -119.45 148.96 42.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.649 179.249 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.1 m -132.5 167.99 18.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.829 0.347 . . . . 0.0 111.043 -176.55 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.663 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 14.4 t-80 -62.69 131.02 47.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.014 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -63.91 104.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.867 -174.825 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -138.68 60.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.282 174.916 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -109.99 -176.78 3.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.126 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -59.85 -60.16 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.961 0.41 . . . . 0.0 111.041 -177.687 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.0 ptp -148.1 156.71 42.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.235 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -169.92 143.66 2.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 -174.66 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -116.66 164.68 14.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -174.701 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 9.5 m -66.47 122.45 17.58 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.347 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' SER . 22.1 tp -74.18 122.7 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.189 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.848 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.92 130.74 9.09 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.445 -178.09 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.652 HD13 ' HG ' ' A' ' 92' ' ' LEU . 51.5 tp -107.66 125.04 50.86 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.617 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -107.63 95.61 5.82 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -177.723 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 36.7 m -98.82 137.47 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.874 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 90' ' ' LEU . 16.7 mt -61.3 117.5 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.822 179.046 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.455 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 43.2 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.581 170.777 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 25' ' ' ARG . 31.4 mtt-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.179 0.514 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.05 132.84 47.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.437 176.433 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 40.9 m -143.64 156.94 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.173 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' HB2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -77.46 34.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 0.0 111.747 -179.702 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.9 m-85 -134.0 -2.93 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.676 173.632 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.6 138.16 58.74 Favored Pre-proline 0 C--O 1.232 0.169 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.027 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.01 -18.28 51.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.145 2.563 . . . . 0.0 113.167 -174.74 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -105.73 5.48 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -69.98 129.86 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.75 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.617 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.3 mt-30 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.494 -179.406 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 156.45 43.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 178.483 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HD2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -149.44 161.71 41.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.959 -179.763 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.0 mt -108.46 127.79 54.22 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.771 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 p -53.25 138.06 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.647 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -46.24 -38.3 8.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.827 0.704 . . . . 0.0 112.868 -169.502 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.647 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 36.2 t 45.41 -96.48 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.867 0.729 . . . . 0.0 111.611 175.034 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -132.78 -17.36 2.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.316 0.579 . . . . 0.0 109.533 173.925 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 11.4 t -151.94 141.81 22.01 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.656 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.28 0.05 20.68 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' LEU . 32.7 m -124.15 23.99 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 110.059 172.62 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 63.4 tt0 -154.74 87.76 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.505 176.494 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.86 -167.48 32.86 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.113 -176.424 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HG3' HD12 ' A' ' 96' ' ' LEU . 97.0 mt-30 -69.28 137.84 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.313 . . . . 0.0 110.737 179.039 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.8 tp -76.75 114.95 16.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.374 178.037 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 28.8 tt0 -119.11 122.79 42.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.749 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.45 150.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.756 -173.612 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.9 t80 -98.43 106.37 18.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.398 176.467 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 mt -111.78 -167.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.541 179.52 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -57.54 -28.03 63.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.208 0.528 . . . . 0.0 110.78 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.1 16.99 20.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.738 -176.789 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.81 -160.05 26.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.748 176.733 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -78.98 120.94 24.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.982 -179.208 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.83 142.79 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.059 178.313 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.0 mtp -71.84 140.01 49.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 178.388 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.5 t -92.32 125.6 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.0 0.429 . . . . 0.0 110.257 178.105 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 138.26 31.69 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.899 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.3 m -61.77 -21.01 64.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -171.412 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -85.3 59.14 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.241 0.543 . . . . 0.0 109.915 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.2 m -122.61 151.14 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.631 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' GLY . 3.4 m-90 59.07 -96.07 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.995 176.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -133.12 19.66 4.33 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.146 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.651 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 17.8 mmt180 -83.9 172.26 12.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.041 0.448 . . . . 0.0 110.318 -179.688 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 p -131.35 -159.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.564 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.566 ' C ' ' HG2' ' A' ' 94' ' ' PRO . 14.4 t -87.7 15.62 6.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -178.941 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -140.68 172.04 13.26 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 39.6 tt0 -75.99 142.03 42.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.688 -175.098 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.651 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 22.6 m95 -108.14 171.73 7.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.25 171.493 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 26.8 tt0 -88.24 42.01 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.416 0.627 . . . . 0.0 110.747 -173.033 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 2.1 m-20 -133.34 62.19 58.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.141 178.094 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 1.3 Cg_endo -86.25 -32.78 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.827 2.351 . . . . 0.0 112.029 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.881 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.8 m -68.42 -12.51 61.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.711 -174.782 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -65.32 -19.87 66.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.697 178.54 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.7 27.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.898 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 t -50.62 -51.81 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.622 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' TRP . 5.1 mptp? -67.24 -23.19 65.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.62 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.57 -52.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.515 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.07 -35.44 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 109.93 176.895 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.066 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -62.95 -29.26 70.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 110.978 176.721 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.497 HD11 ' HG ' ' A' ' 37' ' ' LEU . 74.3 mt -92.61 2.66 56.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.693 179.583 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 57.66 37.96 27.52 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.874 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -109.11 176.49 5.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.142 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.82 -130.85 2.21 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.138 -176.736 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -74.64 150.52 86.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 111.694 -174.196 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.881 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.5 Cg_endo -84.62 105.09 0.99 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.233 2.622 . . . . 0.0 110.983 173.117 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -71.59 -49.24 42.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.414 -174.701 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.0 m -146.16 148.02 32.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -176.334 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.926 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -149.47 117.04 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.55 -166.25 38.5 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.536 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.566 ' HG2' ' C ' ' A' ' 68' ' ' SER . 27.4 Cg_exo -64.52 95.93 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.855 2.37 . . . . 0.0 111.846 178.213 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -97.94 -33.03 11.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -176.423 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 81.2 mt -123.29 156.11 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 52.1 mtmt -120.65 52.9 1.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -177.549 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 m -92.38 -41.07 10.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.428 178.184 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.6 p90 37.82 72.63 0.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.098 0.959 . . . . 0.0 113.337 177.72 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 p -86.62 101.51 2.13 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.563 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 19.6 Cg_endo -57.71 -28.18 80.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.824 2.349 . . . . 0.0 113.345 -171.166 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -74.1 -44.59 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.2 m -91.61 -37.22 13.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.301 -175.705 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 18.6 m -82.15 127.37 33.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.134 -178.226 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 117' ' ' CYS . 24.6 pt -109.99 151.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.181 0.515 . . . . 0.0 111.196 -177.165 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.6 mt -110.86 121.54 63.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.836 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.81 157.23 17.35 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.829 -174.651 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -130.03 161.86 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.52 -132.26 10.87 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.97 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.39 150.22 23.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -176.452 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.63 103.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 109.37 -1.5 31.01 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.42 179.242 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t -84.39 100.28 11.19 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.126 0.489 . . . . 0.0 110.4 179.654 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -92.55 27.77 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.608 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.1 m -66.24 -55.02 18.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.231 -174.455 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -137.53 105.75 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.588 -179.219 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.414 ' HB2' HD12 ' A' ' 105' ' ' ILE . 8.0 m -114.51 156.02 25.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.437 -179.138 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -117.99 167.47 11.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.042 0.449 . . . . 0.0 111.395 -175.606 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -59.34 141.32 54.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.455 175.584 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 29.9 t -62.88 108.53 1.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.574 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -126.94 49.79 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.781 -174.141 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.505 ' OD1' ' HB2' ' A' ' 125' ' ' CYS . 25.6 p-10 -130.23 -178.99 4.99 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.351 175.597 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.01 -52.52 7.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.928 0.394 . . . . 0.0 111.292 -175.847 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 124' ' ' MET . 15.6 ptp -125.95 101.61 6.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.385 0.612 . . . . 0.0 111.113 -178.049 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.505 ' HB2' ' OD1' ' A' ' 122' ' ' ASN . 6.1 t -111.32 167.85 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.619 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 97' ' ' LYS . 21.7 m170 -140.49 149.78 42.93 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.133 -0.354 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 13.4 m -73.13 124.78 26.26 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.484 HD21 ' HG ' ' A' ' 92' ' ' LEU . 6.7 tt -77.23 123.44 26.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.579 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.69 138.02 14.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.746 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.926 HD13 HD12 ' A' ' 92' ' ' LEU . 65.4 tp -121.17 135.92 55.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.32 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.7 m -116.88 103.98 10.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.806 178.259 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 33.7 m -104.14 134.91 46.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.432 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.443 ' CD2' HD11 ' A' ' 90' ' ' LEU . 41.2 mt -60.84 124.81 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.428 0.156 . . . . 0.0 110.903 177.846 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.765 175.459 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.46 HH11 ' HD3' ' A' ' 25' ' ' ARG . 45.5 mtp180 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -108.96 116.52 32.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.845 0.355 . . . . 0.0 110.051 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 t -142.61 150.63 40.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.687 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.02 23.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -111.41 -11.12 14.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 0.0 110.488 173.334 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.22 130.58 41.49 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.162 -178.688 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.62 -7.88 22.17 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.944 2.429 . . . . 0.0 112.435 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.68 -25.81 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 174.098 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -75.05 137.57 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.869 -177.832 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -119.72 133.98 55.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.731 0.3 . . . . 0.0 110.471 -178.15 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 153.54 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 143.85 28.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -176.786 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.5 mt -97.06 140.42 31.6 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.952 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -71.13 162.67 29.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.213 177.571 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.34 -72.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.453 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 t 59.78 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.59 0.556 . . . . 0.0 111.141 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -110.48 -44.99 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 109.721 178.636 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -171.28 163.13 7.02 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.607 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.11 -18.58 63.57 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -166.507 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 87.7 m -97.15 3.71 51.49 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.612 -0.435 . . . . 0.0 112.086 -178.736 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 3.6 pt20 -152.46 102.17 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.671 0.748 . . . . 0.0 111.2 177.129 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.27 -165.29 20.16 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.997 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -76.68 133.49 39.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.891 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.08 111.82 18.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -110.26 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 172.534 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.81 152.96 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 -177.171 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -94.08 118.22 31.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.963 -178.242 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.73 176.74 5.06 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.216 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 2.5 tmtp? -59.2 -37.23 76.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -173.588 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -99.36 19.35 15.69 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.09 -173.55 19.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.8 172.154 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.47 140.53 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -178.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -138.71 144.66 39.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.536 -178.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.5 mtp -81.81 133.94 35.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.016 178.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.82 116.74 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.092 0.472 . . . . 0.0 109.931 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.5 t -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 176.866 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.457 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 80.3 p -79.24 39.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -175.753 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -118.46 21.63 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.34 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.0 m -99.0 147.54 24.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.166 -175.333 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 3.3 m-90 58.81 -87.5 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 111.957 177.005 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.05 29.2 2.75 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.184 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.761 HH12 HD11 ' A' ' 111' ' ' LEU . 80.5 mmt-85 -109.32 150.72 27.58 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.651 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.6 p -148.55 -82.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.263 0.554 . . . . 0.0 110.523 176.058 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -130.92 0.34 4.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.696 0.76 . . . . 0.0 109.482 176.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -110.66 144.4 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.456 -177.462 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -81.69 139.32 34.99 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.448 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -91.42 164.5 13.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.375 -168.787 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.4 -53.76 54.49 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.504 0.502 . . . . 0.0 112.32 -175.62 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -112.64 104.92 56.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.381 . . . . 0.0 111.288 -175.112 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -93.45 -6.44 2.62 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.944 2.43 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.883 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 33.1 m -85.04 44.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 111.67 -173.597 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -103.25 -19.28 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.817 174.425 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.39 20.67 11.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.863 -178.828 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -54.97 -42.47 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.709 -178.204 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -61.62 -37.3 83.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.024 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.42 -55.18 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.152 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 57.9 m -57.93 -44.91 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 -179.83 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.65 -46.46 88.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -177.302 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.587 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 4.4 mmp_? -76.32 -19.48 58.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.508 -178.61 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -86.85 10.05 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 177.434 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.2 t30 68.67 45.18 1.08 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.134 0.968 . . . . 0.0 110.382 179.202 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 80.1 m -135.44 176.19 8.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.466 176.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.83 -157.34 26.47 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.676 -179.447 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.4 m-20 -55.43 150.21 24.87 Favored Pre-proline 0 N--CA 1.468 0.454 0 C-N-CA 122.692 0.397 . . . . 0.0 112.016 -176.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.883 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 8.8 Cg_endo -85.11 104.31 0.86 Allowed 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.297 2.665 . . . . 0.0 111.877 177.822 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 133' ' ' LEU . 92.6 mt -68.84 -38.59 79.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.199 -178.584 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -147.75 154.29 40.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 -177.354 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 130' ' ' LEU . 7.5 tt -156.03 99.39 1.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.16 -162.32 27.32 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.638 -177.648 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.03 107.22 0.75 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.431 2.087 . . . . 0.0 112.025 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.832 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.8 t80 -93.69 -40.52 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.204 -177.584 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -139.66 163.94 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.53 -178.091 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -111.0 58.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.511 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 m -79.49 -29.36 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.647 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 68.38 -76.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.52 -179.601 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m 46.05 72.28 1.29 Allowed Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.463 0.477 . . . . 0.0 110.758 -173.741 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.44 46.92 1.5 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.383 2.722 . . . . 0.0 113.03 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -139.84 -38.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.006 177.17 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.3 m -105.31 -11.27 16.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.464 -177.012 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.0 p -83.77 127.76 34.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.649 . . . . 0.0 111.705 -175.245 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.8 pt -116.96 155.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.124 179.048 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.87 131.32 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.277 176.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.85 147.67 31.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.428 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -117.44 154.48 31.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.017 -172.442 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.5 -123.42 6.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.184 -0.531 . . . . 0.0 114.079 171.901 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.61 119.41 15.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.544 . . . . 0.0 112.353 -172.867 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.761 HD11 HH12 ' A' ' 66' ' ' ARG . 4.8 tt -61.01 118.78 7.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.045 178.036 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.28 -15.98 15.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.665 177.404 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -97.77 135.73 39.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.095 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.479 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 88.5 m-85 -118.69 24.07 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.766 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.0 m -79.77 -43.76 21.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.964 0.412 . . . . 0.0 110.859 -176.274 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -114.9 65.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.169 0.509 . . . . 0.0 111.131 -177.802 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 19.3 m -101.05 159.04 15.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.507 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.8 m -144.21 166.01 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.644 0.259 . . . . 0.0 110.651 -178.599 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -72.84 140.93 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.4 t -60.02 113.45 2.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 -177.812 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -118.09 27.65 8.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -122.03 172.76 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 178.661 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.41 -64.48 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -173.042 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -101.44 155.97 17.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 111.92 -172.218 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 32.3 t -153.83 143.3 21.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.34 176.556 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.457 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 33.3 m170 -126.1 146.88 49.75 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.686 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -83.4 118.66 23.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -177.31 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.27 123.74 24.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 -177.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.832 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -109.61 126.85 8.19 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 178.002 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 51.0 tp -103.34 117.88 35.5 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 178.578 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.9 m -104.24 95.83 6.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.723 0.297 . . . . 0.0 110.915 -177.841 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.424 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 4.4 m -98.09 148.07 23.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.8 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 90' ' ' LEU . 66.0 mt -56.59 139.46 49.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.601 176.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.6 -177.439 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.966 0.412 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.89 81.71 1.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.753 176.515 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 29' ' ' TYR . 11.4 m -83.85 138.24 33.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.114 -178.138 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.04 13.82 0.62 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.449 0.643 . . . . 0.0 110.778 176.882 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 2.9 t80 -115.43 5.29 14.49 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.322 178.89 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 33.2 m-20 -90.7 136.67 27.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.261 178.208 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 28.1 Cg_exo -62.89 -16.21 52.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.336 2.691 . . . . 0.0 112.778 -178.38 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -100.38 -2.09 34.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.707 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.72 132.73 46.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.161 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.88 120.99 41.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 111.209 -177.434 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.21 151.41 38.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.946 177.758 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.71 157.78 44.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.2 mt -107.85 120.2 41.6 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 178.47 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 4.3 m -54.36 115.22 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.634 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -47.18 -74.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.969 0.793 . . . . 0.0 112.506 -166.89 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t 65.62 -68.12 0.12 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.021 0.439 . . . . 0.0 110.482 -176.554 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -120.48 -35.88 3.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.819 -179.261 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 t -151.64 161.38 42.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.631 -175.757 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -88.12 5.06 43.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.276 0.56 . . . . 0.0 109.736 177.129 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -119.74 -1.85 10.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.041 178.784 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.65 119.59 7.65 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.888 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.15 -151.05 11.61 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.797 -179.297 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.537 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 56.3 mt-30 -86.85 147.49 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.16 108.96 18.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.006 0.432 . . . . 0.0 111.11 -177.814 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -112.68 133.64 54.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.482 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.01 152.22 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.666 -177.818 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -103.25 102.92 12.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 mt -104.46 -169.38 1.61 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.09 -22.48 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 110.489 -179.505 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.99 0.51 47.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.7 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.43 -161.74 14.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.721 175.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.76 125.82 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.833 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -142.35 145.77 34.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.215 0.531 . . . . 0.0 111.157 179.062 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.4 mtp -75.83 140.84 42.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.114 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.21 127.23 41.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.937 0.399 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.7 134.27 39.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.48 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 87.7 p -78.37 51.62 1.05 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.036 0.446 . . . . 0.0 111.374 -177.422 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 6.9 tp-100 -151.49 31.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.666 0.746 . . . . 0.0 109.114 177.039 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -95.23 143.94 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.327 -172.473 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.507 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 3.7 m-90 58.38 -89.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.733 179.112 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -138.95 26.55 2.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.115 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 21.7 mmt180 -100.98 116.62 33.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.825 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 m -75.74 173.49 11.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.926 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -78.62 44.99 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.376 0.607 . . . . 0.0 110.345 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -142.85 152.72 42.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -70.59 107.37 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.585 0.707 . . . . 0.0 109.817 178.156 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 145.68 42.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.287 -175.947 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -82.97 41.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.194 0.521 . . . . 0.0 110.533 -177.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -152.53 68.04 6.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.18 0.514 . . . . 0.0 110.809 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.83 -12.58 4.26 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 179.559 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 m -64.95 -16.9 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.187 -174.424 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -71.66 -14.83 62.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.972 0.415 . . . . 0.0 110.342 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.48 10.37 41.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -177.714 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 49.3 m -56.76 -38.22 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.611 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -61.97 -32.02 72.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.888 -179.633 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.76 -49.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 110.274 178.249 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 77.5 m -61.06 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.07 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.4 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 3.2 tmt_? -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.94 4.0 54.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.502 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.86 43.69 5.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.73 0.776 . . . . 0.0 110.917 -178.247 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.5 m -117.69 167.22 11.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 175.445 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.0 49.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.082 178.29 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.44 150.62 23.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.06 0.457 . . . . 0.0 111.945 -175.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 56.0 Cg_endo -73.53 127.12 11.46 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.142 2.561 . . . . 0.0 113.161 -176.558 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 133' ' ' LEU . 95.2 mt -84.04 -45.21 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -145.93 152.49 39.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -176.32 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 130' ' ' LEU . 25.3 tp -151.28 139.11 19.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.284 -177.227 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 -157.13 26.51 Favored Glycine 0 C--O 1.227 -0.295 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.014 177.198 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.13 101.02 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.816 2.344 . . . . 0.0 112.133 -179.655 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 6.7 m-85 -101.74 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.484 -175.883 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 68.4 mt -100.7 168.84 9.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.626 -175.225 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 2.5 mptp? -125.21 64.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 -173.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -77.24 -37.93 52.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.387 178.516 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 69.5 m-85 46.46 72.64 0.22 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.603 0.564 . . . . 0.0 111.812 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.0 m -133.1 91.91 26.87 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.44 178.652 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.5 66.43 2.21 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.271 2.647 . . . . 0.0 111.432 178.257 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 34.7 tt0 -163.63 -54.6 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.268 -178.125 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 m -85.5 -10.38 56.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.639 178.719 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 p -110.26 151.66 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.69 157.5 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.781 178.733 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.3 tt -123.61 127.58 74.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.179 0.514 . . . . 0.0 109.696 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.4 m -98.92 142.04 30.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.945 0.403 . . . . 0.0 111.262 -173.639 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -121.76 170.41 9.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 178.085 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.79 -133.46 11.41 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.759 179.186 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -94.48 134.58 36.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 -175.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.96 114.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.622 -178.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.64 -8.64 28.08 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.902 176.59 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -98.87 109.9 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.124 0.487 . . . . 0.0 110.935 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 62.2 m-85 -96.69 22.63 7.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.052 175.74 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.5 m -59.76 -43.43 94.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.605 -175.734 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -148.23 100.27 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.202 0.525 . . . . 0.0 110.518 179.266 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.9 157.31 16.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.696 178.238 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.7 t -109.66 156.56 20.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.729 -176.017 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 26.1 t-80 -73.01 135.7 44.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.215 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.6 m -61.32 116.89 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.186 0.304 . . . . 0.0 110.961 -177.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 121' ' ' ARG . 6.3 mmm180 -95.23 7.85 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.727 -176.551 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.45 ' ND2' ' HG2' ' A' ' 124' ' ' MET . 24.9 p-10 -141.75 163.55 32.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.105 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.1 4.86 53.22 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.224 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.45 ' HG2' ' ND2' ' A' ' 122' ' ' ASN . 22.6 ptt? -95.21 18.92 11.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.092 -175.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.84 95.43 4.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.669 0.747 . . . . 0.0 111.61 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.48 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 76.2 m80 -73.87 149.53 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.966 174.663 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 8.5 m -73.79 110.26 7.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.02 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.2 tt -66.83 119.63 12.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.965 -177.069 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -106.08 144.71 15.85 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.906 -178.745 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -131.84 118.18 19.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.88 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.7 m -104.06 99.55 9.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.598 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 59.0 m -85.86 154.97 21.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.107 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 90' ' ' LEU . 21.2 mt -64.08 102.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 0.0 110.272 175.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.179 -178.517 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.197 0.522 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -116.83 69.61 0.76 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.395 172.399 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 18.1 m -89.82 148.89 22.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.0 110.338 -176.77 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.518 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -73.2 18.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.764 178.208 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' SER . 6.1 t80 -120.91 2.08 10.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.874 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -90.82 145.5 32.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.42 -21.77 60.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 123.342 2.695 . . . . 0.0 112.891 -178.255 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -99.26 14.79 28.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.853 0.358 . . . . 0.0 111.268 -177.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -84.02 129.05 34.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.841 0.353 . . . . 0.0 110.166 178.169 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.5 mt-30 -116.48 126.28 53.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.464 -177.48 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -158.13 160.3 37.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.354 -177.868 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -141.53 170.49 15.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.76 176.323 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.0 mt -121.0 46.56 2.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.125 -176.516 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.686 HG21 HE21 ' A' ' 47' ' ' GLN . 71.9 p 45.86 -158.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.388 176.435 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -127.4 41.41 3.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.526 178.766 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.374 -171.775 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -157.04 -40.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 -177.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -138.26 153.27 49.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.817 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.68 -13.89 62.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.385 -173.352 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 10.2 t -122.57 22.32 9.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 178.381 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -147.87 104.81 3.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.79 -146.5 8.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.88 -178.481 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.686 HE21 HG21 ' A' ' 38' ' ' THR . 22.5 mt-30 -83.59 135.57 34.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 -176.78 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.7 tp -78.19 105.41 9.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.145 0.498 . . . . 0.0 110.898 -179.18 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.17 125.82 51.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.162 173.697 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -109.13 150.79 11.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 76.6 t80 -99.82 101.78 13.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.916 178.651 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.26 -165.04 1.14 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -30.72 71.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -176.276 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -57.36 3.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.574 174.657 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.24 -144.61 9.56 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 178.293 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.572 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.8 m95 -82.78 125.03 30.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.698 0.285 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -140.05 146.42 38.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.9 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.0 mtp -78.18 132.42 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.505 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.75 126.53 40.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.869 0.366 . . . . 0.0 110.631 179.186 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.7 t -80.95 137.53 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.678 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -77.42 8.44 4.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.188 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -110.17 36.8 2.91 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.712 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m -105.16 160.35 15.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.027 -175.06 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 62.37 -89.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.751 175.833 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.77 22.44 1.98 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 177.881 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HD2' ' CE2' ' A' ' 71' ' ' TRP . 85.3 mmt-85 -112.4 143.73 43.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 -176.676 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.423 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 66.0 m -97.85 161.71 13.61 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.112 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 5.4 t -69.29 78.98 0.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 -179.185 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -148.71 157.45 43.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.358 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -79.28 109.22 13.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 -178.401 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 87.7 m95 -91.36 169.44 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.764 -177.929 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.94 24.71 10.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.818 -170.385 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -144.16 86.22 8.48 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.961 0.41 . . . . 0.0 110.695 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.13 -10.84 5.57 Favored 'Trans proline' 0 N--CA 1.452 -0.971 0 C-N-CA 122.149 1.9 . . . . 0.0 111.824 174.341 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 21.1 p -73.62 -1.38 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.016 -174.746 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.2 -19.35 61.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.046 0.451 . . . . 0.0 110.518 174.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.74 22.41 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -174.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -58.09 -36.07 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.658 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 57.0 tptt -65.72 -29.36 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.67 -47.21 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.168 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.06 -39.08 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.602 177.074 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 5.9 tp60 -65.3 -35.44 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.689 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -67.77 -23.03 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 177.838 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.21 9.18 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.114 177.204 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.16 48.16 15.82 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.101 -179.269 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.7 m -117.42 178.4 4.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.685 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.07 -151.91 8.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.096 178.001 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -77.1 151.55 81.67 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-O 121.06 0.457 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 43.1 Cg_endo -74.46 119.77 5.91 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.867 2.378 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.81 -48.52 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.319 -175.969 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -145.11 152.37 39.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -176.764 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.875 HD12 HD13 ' A' ' 130' ' ' LEU . 9.6 tt -147.26 137.8 23.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.119 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.16 -152.48 23.51 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.813 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.49 96.33 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 111.623 176.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.948 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 55.0 t80 -82.9 -41.59 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -176.821 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.533 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 77.3 mt -136.87 151.05 48.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.266 0.555 . . . . 0.0 111.312 -177.663 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -102.88 47.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.67 177.532 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.7 m -77.39 -34.55 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.605 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 98.4 m-85 68.94 -73.44 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.961 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m 42.02 73.71 0.86 Allowed Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 123.443 0.697 . . . . 0.0 112.294 -177.635 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.77 64.47 3.14 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.537 2.158 . . . . 0.0 111.801 178.645 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -166.48 -31.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.705 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 m -107.57 -8.52 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 178.694 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 p -94.59 149.75 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 0.0 110.734 -178.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.3 147.79 32.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.9 mt -111.27 118.88 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -100.76 161.69 13.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.244 -177.559 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -126.31 157.12 39.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.196 -175.185 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.25 -141.2 15.22 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.305 175.727 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.3 147.11 34.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -176.544 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.41 112.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.213 -176.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 104.59 -4.31 43.16 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.851 177.281 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.1 t -88.01 106.93 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.955 0.378 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.454 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.6 m-85 -98.67 26.08 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 178.502 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 m -67.15 -26.9 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.824 -175.848 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -155.97 94.05 1.5 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.985 0.421 . . . . 0.0 110.038 -178.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 52.2 m -106.63 153.53 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 -179.11 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -112.91 133.27 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 110.521 -177.297 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -84.58 100.85 11.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.308 175.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 m -111.96 141.5 45.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.878 178.203 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -108.85 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.013 0.435 . . . . 0.0 110.805 -178.358 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -110.25 153.02 25.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.545 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.04 34.54 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.104 -169.086 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -121.3 14.49 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 176.855 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 6.9 m -95.7 117.09 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.601 -179.522 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.45 ' HB2' ' OG ' ' A' ' 68' ' ' SER . 33.1 m80 -94.22 143.97 25.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.882 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 m -61.17 116.95 4.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 -179.416 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.74 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.166 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.948 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.54 148.81 16.86 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.489 -176.84 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.875 HD13 HD12 ' A' ' 92' ' ' LEU . 62.4 tp -131.55 124.34 29.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.003 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.0 m -104.41 96.86 6.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.36 178.441 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 60.7 m -86.48 145.34 26.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.3 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.02 105.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 178.906 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.099 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 25' ' ' ARG . 9.3 mmm180 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.083 0.468 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.655 HD11 ' HE3' ' A' ' 53' ' ' LYS . 95.7 mt -134.55 88.17 2.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.946 177.174 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -154.31 150.03 27.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.158 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.95 0.4 7.45 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.488 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -91.34 -17.79 25.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -178.923 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.48 146.26 65.4 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 -177.758 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.28 -15.4 31.55 Favored 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 123.309 2.673 . . . . 0.0 113.458 -174.542 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -110.65 20.51 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.46 -179.164 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -99.25 124.36 44.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.658 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -106.75 141.85 37.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.883 0.373 . . . . 0.0 111.273 -177.002 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.88 154.23 38.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.167 178.621 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 84' ' ' LEU . 5.5 ptp180 -144.63 169.01 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.6 mt -117.31 136.43 53.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.254 174.095 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 p -62.84 155.99 25.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.815 -177.648 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 8.6 ptp85 -68.09 64.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.886 -179.733 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 t -79.14 -60.96 2.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.113 178.069 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -144.36 -74.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 109.751 178.671 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 48.3 t -105.44 163.8 12.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.033 177.579 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -72.92 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.455 -178.613 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.9 m -102.69 11.49 37.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.491 -178.164 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 20.1 pt20 -152.89 131.65 12.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.039 0.447 . . . . 0.0 111.399 -179.697 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.46 -154.93 25.96 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.342 178.022 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.648 ' HG3' HD12 ' A' ' 96' ' ' LEU . 92.7 mt-30 -88.87 133.84 34.15 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.586 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 tp -80.69 116.94 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -111.11 135.71 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.831 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.94 152.05 22.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -177.606 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -93.74 106.76 18.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 178.583 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 105' ' ' ILE . 50.0 mt -99.21 -168.92 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.0 mttt -63.75 -36.68 84.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.386 177.724 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -51.09 10.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.187 178.083 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.62 -147.43 12.02 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.513 177.46 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -86.6 121.8 29.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -177.365 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -136.14 143.15 44.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.629 179.447 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.8 ttp -80.29 133.38 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.363 -179.033 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.18 132.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 -177.485 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -86.22 134.26 33.79 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.012 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 8.6 p -78.51 20.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.074 0.464 . . . . 0.0 111.71 -176.023 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -110.82 33.36 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.0 0.905 . . . . 0.0 108.727 174.928 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -108.52 157.06 18.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.108 -175.836 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 60.55 -89.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.15 0.906 . . . . 0.0 111.764 176.45 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.16 1.18 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.819 179.285 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -104.18 121.27 42.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.815 -179.175 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -89.46 176.51 6.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.682 175.338 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 m -77.43 61.72 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.153 0.501 . . . . 0.0 110.621 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -164.49 155.17 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.711 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.26 110.11 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -76.91 159.97 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -178.975 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.67 53.65 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.086 0.469 . . . . 0.0 111.376 -173.917 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -175.19 78.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.229 171.761 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.01 -4.0 4.56 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.697 2.265 . . . . 0.0 112.098 177.858 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.852 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.4 m -64.87 -12.32 47.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.391 -174.72 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -63.32 -19.82 64.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.637 0.256 . . . . 0.0 111.456 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.45 19.35 15.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 111.255 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.7 p -55.62 -46.49 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.452 -179.701 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.42 -31.3 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 -179.249 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.03 -48.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.185 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.4 m -62.64 -37.69 87.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.062 177.533 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.53 -40.64 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.394 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -60.65 -33.81 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.946 176.351 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 36' ' ' ARG . 80.3 mt -87.7 6.83 32.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.469 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.28 43.95 4.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.701 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.3 m -117.48 -176.53 3.03 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.899 178.014 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.13 -150.8 27.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.206 179.154 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.25 149.14 97.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 111.526 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.852 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 59.5 Cg_endo -80.39 123.47 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.012 2.474 . . . . 0.0 112.639 179.197 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.87 -46.91 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.954 -177.986 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 m -133.98 143.22 48.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.003 -175.267 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.98 99.49 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.08 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.87 -153.49 9.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.028 -177.932 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.47 83.53 2.21 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.883 2.389 . . . . 0.0 112.777 -178.307 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.02 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 83.4 m-85 -112.74 136.63 52.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 47' ' ' GLN . 87.6 mt 67.26 167.61 0.24 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.771 0.669 . . . . 0.0 110.996 -176.562 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 63.2 mttp -142.29 126.91 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -177.941 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 m -126.46 -41.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 110.329 175.154 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 67.9 m-85 61.81 14.53 6.31 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.05 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -87.62 108.79 22.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 178.888 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.37 -6.63 18.03 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.945 2.43 . . . . 0.0 112.483 -176.514 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -84.21 -22.06 31.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.097 178.754 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 m -108.97 -36.65 6.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.878 -178.127 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -84.17 150.75 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.084 -175.482 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 52' ' ' LEU . 36.3 pt -130.05 147.82 33.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.963 177.788 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.6 mt -112.3 126.55 69.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 173.253 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.0 t -112.64 148.37 34.77 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.742 -175.065 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.35 164.05 12.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.259 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.9 -148.66 17.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.315 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -82.71 142.53 31.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.523 0.329 . . . . 0.0 110.912 -176.377 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.24 105.7 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.581 -179.47 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 -17.45 7.28 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.178 -178.319 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.3 t -91.02 123.13 34.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.0 110.702 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 90.8 m-85 -114.39 26.57 10.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.186 -179.476 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -84.41 -14.16 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.37 -176.304 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -140.2 75.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.182 179.359 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 10.1 m -113.06 151.54 30.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.781 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.2 p -136.06 165.63 25.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.932 0.396 . . . . 0.0 110.647 -179.182 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.76 138.58 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.09 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -67.24 103.18 1.18 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.691 -175.783 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -87.71 34.04 0.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.428 0.632 . . . . 0.0 110.317 174.867 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -143.8 148.76 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.36 -179.184 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -94.41 63.6 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.906 0.86 . . . . 0.0 111.008 -172.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -164.13 123.56 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.892 171.42 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.1 t -165.55 130.26 2.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 0.0 111.015 -177.52 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -111.32 132.71 54.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.48 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.431 ' HB2' ' HG2' ' A' ' 47' ' ' GLN . 3.3 p -68.12 140.15 56.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.169 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.477 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.969 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 1.02 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -91.59 113.25 4.3 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.684 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.542 ' HB3' HD21 ' A' ' 37' ' ' LEU . 45.0 tp -105.66 131.71 52.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.909 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.9 m -124.33 105.99 9.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.005 178.159 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 9.1 m -105.68 154.64 20.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 -178.56 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.0 mt -64.46 141.59 58.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.275 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.872 -179.366 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.784 0.326 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt -96.62 61.94 1.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.062 0.458 . . . . 0.0 110.435 175.107 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.0 m -90.3 142.41 27.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.262 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.669 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -79.02 18.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 111.491 -176.62 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -105.63 -13.99 15.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.767 173.056 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 69.2 m-20 -77.57 137.09 63.35 Favored Pre-proline 0 C--O 1.231 0.112 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -176.497 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.3 Cg_exo -48.24 -50.18 12.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.297 2.665 . . . . 0.0 113.655 -172.409 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.02 12.33 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.024 -171.858 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 91.8 t80 -67.15 113.47 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.868 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.9 121.72 41.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.223 0.535 . . . . 0.0 111.073 -175.735 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.57 148.99 43.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.28 175.947 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.33 159.14 41.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.909 0.385 . . . . 0.0 110.095 -178.498 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 130' ' ' LEU . 86.9 mt -111.93 138.62 48.31 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.301 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 61.7 p -60.8 155.68 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.315 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' NH2' ' HD3' ' A' ' 43' ' ' LYS . 18.3 mmm180 -53.97 -55.41 27.37 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.162 0.288 . . . . 0.0 110.67 -175.26 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 53.65 -95.21 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.901 0.751 . . . . 0.0 112.296 173.847 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -136.88 -24.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.771 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 39.4 t -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.359 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 27.8 mmmt -77.71 11.42 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -173.714 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 1.0 OUTLIER -145.19 22.47 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.339 179.381 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.771 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 10.1 pt20 -155.28 112.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.403 0.62 . . . . 0.0 110.625 176.203 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.12 -161.08 28.49 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.385 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.5 mp0 -73.47 141.99 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.86 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -89.3 109.64 20.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 0.0 110.795 -177.081 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.8 120.69 43.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.408 174.067 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.53 152.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -176.749 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -89.53 104.65 17.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.379 179.314 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD11 HD13 ' A' ' 105' ' ' ILE . 90.1 mt -85.55 177.99 7.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.1 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tptp -79.47 48.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.565 0.698 . . . . 0.0 110.237 -178.029 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -167.33 -36.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.528 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.01 -168.89 42.02 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.027 177.621 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -86.39 131.66 34.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.723 0.297 . . . . 0.0 110.286 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -140.11 141.9 36.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 -179.318 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptm -80.22 136.77 36.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.763 -179.657 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -84.86 143.54 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.59 145.25 31.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.139 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 68' ' ' SER . 92.8 p -81.31 56.27 2.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.197 0.523 . . . . 0.0 111.201 -175.925 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -156.0 46.96 0.47 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.298 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 m -120.14 161.76 20.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.236 -175.554 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.12 31.04 20.95 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.471 0.482 . . . . 0.0 112.28 175.489 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 27.5 73.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.451 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -104.81 146.02 29.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.98 0.419 . . . . 0.0 110.519 178.43 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.1 m -74.45 171.22 14.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.277 -178.79 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 61' ' ' SER . 19.8 m -77.98 -5.94 52.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.216 -176.318 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -95.31 149.22 21.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 175.339 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.09 115.62 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 -176.456 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.9 p90 -77.45 166.85 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.607 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.05 27.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.093 -171.66 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.1 65.09 68.42 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -177.163 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -92.34 -13.3 1.59 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.687 2.258 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 12.4 p -75.43 7.17 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.105 -175.864 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -82.62 -19.31 38.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.159 0.504 . . . . 0.0 110.188 178.731 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.13 14.48 23.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.338 -175.929 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 43.7 m -53.54 -36.71 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.288 179.522 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.83 -37.78 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.822 -178.524 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.55 -47.39 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.814 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 23.4 m -59.89 -41.98 92.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.156 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 78' ' ' SER . 98.6 mt-30 -62.36 -43.02 99.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.166 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -73.91 -13.89 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.471 -178.747 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.29 10.08 35.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.611 172.37 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 62.41 38.74 12.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.335 -178.895 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.64 174.96 5.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.109 178.323 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.81 -109.52 0.85 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.185 -177.041 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.16 153.68 37.89 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 -174.873 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.3 Cg_endo -82.25 104.99 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.646 2.23 . . . . 0.0 111.483 175.269 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.96 -36.98 75.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.414 -176.266 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.9 m -154.74 149.48 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.138 -178.541 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 130' ' ' LEU . 9.1 tt -148.59 117.73 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.075 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.74 -143.95 10.73 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.867 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.03 99.56 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.191 1.928 . . . . 0.0 111.763 178.253 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 75.2 t80 -97.63 -56.51 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.13 -178.367 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 30.6 mt -129.61 -178.76 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.028 178.425 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 61.2 mttp -123.76 57.36 1.19 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.15 0.5 . . . . 0.0 110.25 -175.793 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -67.48 -46.33 73.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.457 178.694 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 39.5 m-85 53.15 82.82 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.879 179.333 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 m -109.0 86.98 4.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.461 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 7.8 Cg_exo -73.39 53.27 2.57 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.455 2.77 . . . . 0.0 112.778 -174.474 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -156.73 -59.9 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.302 176.123 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -82.86 -12.37 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -177.342 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.442 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 27.2 t -69.84 139.44 53.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.61 HD13 HD11 ' A' ' 52' ' ' LEU . 31.6 pt -123.57 129.63 74.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.293 0.568 . . . . 0.0 111.671 -177.306 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.0 mt -96.82 119.23 44.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 167.948 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 6.4 t -109.72 136.57 48.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.126 0.489 . . . . 0.0 110.848 -174.686 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -105.28 149.91 25.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.102 -178.631 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.82 -139.49 10.78 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.144 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.42 ' OE1' ' HA ' ' A' ' 110' ' ' GLN . 14.7 mm-40 -109.86 134.66 51.82 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.826 -0.22 . . . . 0.0 110.699 -178.688 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.95 103.22 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.932 0.77 . . . . 0.0 110.796 177.919 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.669 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 134.01 -20.94 3.98 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.337 -177.104 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 9.5 t -127.04 126.05 42.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 -178.221 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -90.51 71.93 6.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 0.0 109.378 176.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -82.83 -59.84 2.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.421 -176.295 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -117.45 78.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.574 -173.515 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 23.6 m -96.6 132.34 42.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 -177.667 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.8 m -111.54 138.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.134 0.492 . . . . 0.0 111.549 -176.771 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -71.65 110.68 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.471 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.0 m -112.81 132.21 55.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.251 0.548 . . . . 0.0 112.206 -168.115 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -99.53 46.56 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.644 175.567 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -109.96 144.93 37.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.18 0.514 . . . . 0.0 111.927 -174.061 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.28 4.63 10.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.122 173.003 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mtt -80.33 -8.28 59.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.448 0.642 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.52 146.41 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -90.92 155.34 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.956 0.408 . . . . 0.0 110.388 -173.736 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -73.78 122.55 22.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.713 -177.615 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 61' ' ' SER . 8.2 tt -82.29 125.83 31.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.279 0.562 . . . . 0.0 110.506 -176.297 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -124.78 158.61 19.33 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.792 177.216 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 92' ' ' LEU . 58.1 tp -121.99 126.19 48.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.551 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 m -108.44 101.73 10.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.297 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.6 m -102.45 134.25 46.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.804 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.02 111.22 2.77 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.689 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.249 -179.287 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.67 0.271 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -141.92 94.43 2.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.244 178.949 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -119.52 153.03 35.99 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -74.22 12.27 0.77 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.757 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -109.76 -6.15 15.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.984 0.421 . . . . 0.0 109.997 177.443 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 39.9 m-20 -75.54 141.79 73.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 -178.889 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 52.8 Cg_exo -52.58 -50.62 13.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.732 2.288 . . . . 0.0 112.774 -172.427 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -97.11 20.26 11.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.948 -172.335 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 60.1 t80 -64.74 129.71 40.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.881 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 31.1 mm-40 -103.66 116.69 32.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -175.72 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.35 154.42 40.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.169 178.71 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -152.99 164.0 38.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.402 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -110.21 61.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.94 0.4 . . . . 0.0 110.441 178.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.489 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 74.0 p 47.69 -163.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.283 178.651 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -104.84 39.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.505 176.23 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 p -59.59 -73.38 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.933 -174.647 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -170.38 -61.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.307 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.614 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 26.7 t -100.77 151.54 21.56 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.299 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.894 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -88.23 9.51 22.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.796 0.332 . . . . 0.0 110.512 -179.111 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.6 m -120.07 12.92 12.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.985 176.605 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -153.37 138.9 17.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.452 173.346 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.77 -151.32 23.51 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.903 178.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB2' HG21 ' A' ' 38' ' ' THR . 24.9 mp0 -102.13 136.45 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.717 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 tp -78.95 113.04 16.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.534 -175.045 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 38' ' ' THR . 48.8 mt-10 -106.4 136.77 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.209 171.27 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.85 153.13 29.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.072 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.8 t80 -95.47 109.8 21.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.436 178.795 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -95.93 -175.58 3.45 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.214 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.04 -30.29 70.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.264 0.554 . . . . 0.0 109.619 178.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.58 -3.98 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.015 178.411 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.4 -162.36 12.68 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.827 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -80.2 129.16 34.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.548 0.213 . . . . 0.0 110.643 -179.445 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -144.76 151.11 38.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.831 178.944 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' HG12 ' A' ' 105' ' ' ILE . 77.6 mtp -80.98 144.22 31.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.269 -177.516 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.65 132.76 35.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.654 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.16 139.9 30.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . 14.5 m -63.89 -19.29 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.058 -175.852 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -87.08 54.52 3.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 0.0 109.74 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -120.69 153.22 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -179.178 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 57.84 -100.34 0.11 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.742 177.169 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.61 31.82 2.7 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 178.328 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -104.04 125.83 50.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.057 0.456 . . . . 0.0 110.815 -179.489 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -95.43 177.29 5.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 94' ' ' PRO . 72.5 m -79.19 59.94 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 110.165 177.633 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -157.07 168.04 28.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -90.12 106.26 18.36 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -69.9 150.33 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.169 178.399 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.66 -33.57 47.67 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.55 -1.204 . . . . 0.0 113.398 -169.207 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.55 85.03 48.39 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 -175.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.82 -7.4 11.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.825 2.35 . . . . 0.0 111.967 178.078 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.452 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.2 m -89.13 44.93 1.24 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.622 -174.845 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -11.67 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.358 176.647 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.04 21.74 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.054 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 m -56.6 -36.07 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.234 -179.61 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 59.8 tptt -58.65 -42.46 88.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 177.745 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.74 -48.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.18 179.629 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.12 -37.27 76.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.115 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -66.47 -40.85 89.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 24.7 mmm180 -67.29 -27.24 67.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.768 0.318 . . . . 0.0 110.482 178.354 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 43' ' ' LYS . 61.3 mt -88.81 5.41 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 178.304 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.12 49.4 3.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.181 177.31 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -136.5 176.19 8.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.394 176.602 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.97 -152.98 9.16 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.985 -177.099 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 6.5 m-20 -71.42 155.56 92.6 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 122.546 0.339 . . . . 0.0 111.28 -174.805 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.9 Cg_exo -71.87 116.45 4.71 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.094 2.529 . . . . 0.0 112.111 177.286 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.43 -48.73 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.471 -179.043 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 p -142.08 145.74 34.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 -177.884 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tt -153.15 119.11 5.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.84 -153.99 25.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.75 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 38.5 Cg_exo -61.66 100.96 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.919 2.412 . . . . 0.0 111.752 179.255 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.814 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -94.5 -37.75 11.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -175.894 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.76 136.42 46.33 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.936 -176.762 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.794 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 0.0 OUTLIER -89.13 60.3 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.009 0.909 . . . . 0.0 109.561 174.515 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 m -65.88 -44.12 86.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.163 -174.454 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 53.13 61.7 3.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.09 0.471 . . . . 0.0 110.81 -175.767 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.0 m -148.03 97.39 3.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.012 0.434 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 123' ' ' ASP . 87.9 Cg_endo -84.13 48.25 2.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.812 2.341 . . . . 0.0 112.364 -178.928 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -127.33 28.36 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 110.003 -178.759 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 t -174.43 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.991 -179.334 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 p -83.11 149.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.231 -178.748 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 58' ' ' MET . 29.3 pt -126.85 150.86 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.208 178.391 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.3 mt -110.03 124.2 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.807 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 1.7 t -106.76 147.6 29.45 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.11 -177.163 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -118.22 152.81 34.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -177.671 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.07 -128.72 7.15 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.488 -179.422 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -112.77 139.07 48.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.518 0.199 . . . . 0.0 110.622 -176.602 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.41 114.11 1.14 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.122 179.398 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.6 -7.12 31.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.325 -179.563 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -109.46 117.54 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 178.056 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.12 46.1 0.93 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.785 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 p -63.33 -52.93 59.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.723 -174.599 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -144.73 95.46 2.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.184 0.516 . . . . 0.0 110.073 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 5.6 m -99.79 146.66 26.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.715 179.608 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -112.2 142.59 44.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -175.299 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -74.68 109.46 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.681 177.845 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -63.01 127.1 29.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.504 -176.115 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -102.1 8.23 40.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 175.061 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -109.77 134.55 51.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 p30 -78.23 -7.98 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.028 -177.256 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.0 tpt -72.94 78.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.642 175.63 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 t -146.4 142.68 28.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.057 -175.821 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.794 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 28.2 m170 -117.68 132.97 56.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.049 175.952 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.2 m -70.25 126.68 30.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 61' ' ' SER . 24.1 tp -71.66 116.83 12.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 -178.397 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.814 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.61 139.97 14.92 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.117 -179.482 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 tp -126.17 136.45 52.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.9 m -132.13 108.3 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.58 177.561 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 27.1 m -99.83 143.24 30.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.783 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.42 103.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 111.532 -177.406 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.7 176.126 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' H ' ' HB2' ' A' ' 115' ' ' SER . 97.0 mt -131.08 68.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.718 176.07 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 32.7 t -100.32 157.3 16.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -177.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.49 13.78 0.9 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 111.347 178.774 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -106.77 -2.96 20.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.032 171.001 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.99 124.54 74.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.329 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.73 -17.78 60.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.111 2.541 . . . . 0.0 112.627 -176.793 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -106.33 19.26 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.291 179.125 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.28 121.38 20.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.968 177.453 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -95.65 112.84 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -176.125 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 161.94 39.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -141.1 154.46 45.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.3 mt -107.39 137.49 45.33 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 171.455 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.0 p -56.28 141.4 41.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.589 -176.128 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -72.12 78.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.01 179.11 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.4 p -88.56 -44.98 10.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.307 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -169.66 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.261 -175.502 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 30.0 t -139.3 144.84 38.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.159 173.931 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -72.63 -0.17 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.732 0.301 . . . . 0.0 110.966 -176.607 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.852 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 79.4 m -112.37 21.35 15.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.823 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 13.8 pt20 -157.81 132.99 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.55 174.749 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.08 -163.44 30.15 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.69 144.24 49.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.722 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 tp -88.11 112.39 22.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.991 0.424 . . . . 0.0 110.449 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.77 124.68 52.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.624 175.813 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.35 154.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -176.153 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -94.6 114.18 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.22 -179.679 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 105' ' ' ILE . 88.6 mt -108.45 -177.16 3.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.098 178.211 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.37 -34.6 66.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.904 177.328 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -100.5 24.83 8.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -177.215 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.17 -165.36 19.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.259 174.383 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -75.02 134.59 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -136.01 149.28 48.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.111 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.439 ' HE2' ' HB3' ' A' ' 58' ' ' MET . 75.5 mtp -86.94 130.44 34.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -80.84 125.17 39.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.063 0.458 . . . . 0.0 110.439 178.458 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.42 140.46 29.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.098 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.723 ' HA ' HD12 ' A' ' 128' ' ' LEU . 86.2 p -74.05 0.62 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.764 0.316 . . . . 0.0 111.762 -175.318 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 7.7 mm-40 -88.51 10.65 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.071 176.27 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 m -82.06 134.82 35.37 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 70.56 -44.69 0.58 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.937 0.895 . . . . 0.0 111.13 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.78 162.89 31.05 Favored Glycine 0 N--CA 1.437 -1.278 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 174.865 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -79.5 87.99 5.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.387 0.594 . . . . 0.0 110.079 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 11.7 m -79.91 69.23 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.873 -176.064 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -83.96 -11.11 57.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.802 0.811 . . . . 0.0 109.2 171.181 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -122.36 161.31 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.894 177.212 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -85.07 136.86 33.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.355 . . . . 0.0 110.579 -178.43 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -85.94 137.13 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.107 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.85 23.0 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.632 0.729 . . . . 0.0 110.846 -176.772 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' HE21 ' A' ' 76' ' ' GLN . 25.7 t0 -131.92 70.35 80.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.408 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -83.81 -15.94 6.79 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.337 2.025 . . . . 0.0 113.138 -172.321 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.1 m -78.58 22.99 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.468 -175.865 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.402 HE21 ' CG ' ' A' ' 73' ' ' ASP . 87.6 mm-40 -77.79 -21.96 50.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.111 0.481 . . . . 0.0 109.847 175.032 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.04 35.16 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.437 -177.278 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -59.79 -40.2 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.566 -178.502 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 38.5 mmtm -62.6 -29.69 70.79 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.56 -50.5 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.527 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 70.1 m -60.67 -35.14 75.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.676 177.074 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -36.71 84.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 178.168 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 13.9 mmm180 -67.4 -35.27 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.538 0.209 . . . . 0.0 110.614 178.461 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.09 -0.43 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.621 177.912 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 61.63 52.01 3.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.809 178.574 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.03 -179.58 4.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.02 -170.41 33.06 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.621 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.4 t70 -69.72 146.04 95.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.355 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 53.2 Cg_exo -47.58 125.05 10.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.749 2.966 . . . . 0.0 113.051 178.741 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.59 -44.91 10.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.441 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 m -145.56 150.41 36.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.657 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.76 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -147.99 134.98 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.474 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.82 -153.87 25.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.899 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.81 109.79 2.2 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.148 1.899 . . . . 0.0 111.453 178.328 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.828 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.1 t80 -94.09 -53.44 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.862 -173.937 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.71 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 23.8 tp -144.96 -178.71 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.851 -176.045 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.71 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 96.1 mttt -133.32 86.43 2.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.555 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.2 m -81.96 -26.64 33.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.306 -178.398 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 79.1 m-85 52.75 67.45 0.99 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 178.692 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.7 m -124.78 81.49 61.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.629 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.43 -40.63 53.58 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.632 2.888 . . . . 0.0 114.331 -171.325 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.4 -41.12 96.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 0.0 111.222 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 m -89.06 -28.62 20.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.788 -173.1 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 34.3 p -75.18 140.79 43.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.848 0.356 . . . . 0.0 111.335 -177.938 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 HD11 ' A' ' 52' ' ' LEU . 37.6 pt -129.47 153.18 38.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.6 mt -117.87 124.75 73.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.77 174.118 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -98.57 150.27 21.89 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.198 179.292 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -149.93 166.71 28.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.431 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.63 -81.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 179.627 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.36 127.15 48.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.731 0.301 . . . . 0.0 110.771 -176.403 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.89 125.2 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.932 -177.584 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.633 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 95.9 -16.66 60.74 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.768 177.498 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -88.59 105.08 17.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.014 0.435 . . . . 0.0 110.521 -178.217 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.483 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 98.1 m-85 -90.88 16.43 9.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.257 179.164 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.421 ' HB2' ' H ' ' A' ' 26' ' ' LEU . 7.0 t -95.4 2.11 54.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.726 -179.905 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -138.97 69.86 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 0.0 109.323 -178.731 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 13.4 m -131.41 166.15 21.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.373 -176.162 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.9 m -148.68 140.16 23.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.395 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -80.84 68.93 7.28 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.047 0.927 . . . . 0.0 111.268 -178.509 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.2 t -69.59 112.75 6.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.85 177.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -82.35 72.4 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.017 -176.357 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.17 164.14 11.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.048 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -106.27 28.51 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -177.567 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.76 24.98 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 176.513 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.5 t -91.96 120.79 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.678 -171.723 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.476 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 92.5 m-70 -107.42 136.34 47.37 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 175.038 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -76.92 120.41 22.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.994 0.426 . . . . 0.0 110.59 -175.045 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.7 tt -76.99 134.0 38.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.536 -177.269 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.828 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -129.65 154.35 20.38 Favored Glycine 0 N--CA 1.439 -1.111 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.637 -178.26 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.76 HD13 HD12 ' A' ' 92' ' ' LEU . 57.7 tp -124.12 132.09 53.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.909 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 m -113.57 102.68 10.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.198 178.521 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.852 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 62.8 m -86.35 148.08 25.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.388 179.364 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 tt -73.61 94.55 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.748 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.776 -178.263 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 88.4 mt -138.25 105.75 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.854 0.359 . . . . 0.0 110.591 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 29' ' ' TYR . 69.1 p -132.49 164.9 25.55 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.23 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.727 178.716 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.2 m-85 -132.9 12.8 4.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.474 173.633 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.3 m-20 -99.74 139.96 21.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.813 176.336 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 18.7 Cg_exo -66.28 -13.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.096 2.531 . . . . 0.0 112.333 -179.434 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.34 -6.91 57.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 178.311 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -80.16 116.87 20.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.019 0.438 . . . . 0.0 110.777 -176.202 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -119.87 135.01 55.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.077 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -142.31 156.24 45.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.735 -178.982 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 8.6 ptp180 -147.27 155.64 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.405 178.999 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.84 91.2 3.57 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -58.17 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -160.995 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -137.33 90.55 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.265 -173.067 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.6 p -118.21 -71.43 0.74 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.254 0.55 . . . . 0.0 110.275 176.547 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.94 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.908 -178.803 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 32.5 t -129.64 168.08 17.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.348 178.572 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -97.57 -1.24 44.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.431 -174.078 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 134' ' ' GLU . 76.5 m -117.04 18.15 14.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.573 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 1.4 pp0? -161.81 146.12 12.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 177.96 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.72 28.06 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.85 176.478 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG3' HD12 ' A' ' 96' ' ' LEU . 85.6 mt-30 -66.69 124.46 22.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.71 0.291 . . . . 0.0 110.455 179.138 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -82.36 106.45 14.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.5 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -109.33 125.32 52.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.686 174.288 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.69 151.96 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.561 -177.471 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -95.24 119.14 33.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.11 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.5 mt -114.84 -173.04 2.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -46.41 -45.11 17.74 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.149 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 17.61 20.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.042 0.448 . . . . 0.0 111.463 -173.472 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.28 -161.6 12.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.611 175.084 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -77.57 141.24 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -176.384 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -142.06 144.32 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 79.5 mtp -80.73 125.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.987 179.524 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.84 124.61 35.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.546 -179.575 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.54 135.91 33.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.551 178.452 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -69.76 -8.88 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.042 0.449 . . . . 0.0 111.253 -177.445 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 11.1 mm-40 -77.54 -7.67 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 177.472 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -66.95 150.5 49.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.801 -179.684 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.3 m0 73.14 -53.6 0.7 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.063 172.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.77 41.79 0.46 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.883 -1.151 . . . . 0.0 114.004 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.76 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER 37.76 83.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.352 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.0 m -102.92 110.71 22.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -97.36 -12.41 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.963 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.92 165.88 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.278 178.056 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.507 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -91.2 150.67 21.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.994 179.797 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -97.18 140.27 31.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 -178.649 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.33 -19.07 47.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.766 -178.486 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -126.82 90.4 49.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 -177.561 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -96.56 18.59 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.241 2.627 . . . . 0.0 112.355 177.498 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.6 m -71.04 -1.45 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.814 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.42 -6.04 55.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.257 0.551 . . . . 0.0 110.514 174.623 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.41 10.79 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -56.05 -32.96 64.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 45.2 mmtm -67.32 -32.45 73.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.087 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.2 t -65.31 -48.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.291 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.1 m -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.147 176.67 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -45.28 95.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.061 178.819 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 23.9 mmm180 -66.89 -22.75 65.96 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.779 -178.707 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.47 0.44 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.793 175.138 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.09 42.48 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -178.252 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.1 m -114.06 172.46 6.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.658 177.697 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.65 -164.57 31.48 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.066 -177.92 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.62 149.09 64.06 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.893 0.477 . . . . 0.0 111.936 -176.112 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 65.1 Cg_endo -76.3 129.59 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.09 2.527 . . . . 0.0 112.398 -179.412 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 133' ' ' LEU . 81.6 mt -98.09 -43.02 7.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.558 -176.09 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 130' ' ' LEU . 45.9 m -148.37 148.86 30.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 111.223 -176.0 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 130' ' ' LEU . 23.1 tp -141.37 131.71 25.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.536 178.246 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.91 -173.07 41.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.249 178.232 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.98 99.56 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.646 2.231 . . . . 0.0 111.256 176.331 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 67.0 t80 -86.9 -38.79 16.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -173.86 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' HG3' ' A' ' 47' ' ' GLN . 90.1 mt -131.89 150.69 52.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 -177.751 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -110.04 83.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.537 178.879 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -89.34 -31.65 17.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.085 -174.278 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 47.29 65.76 1.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 111.566 -176.849 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 m -129.95 90.5 42.49 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.013 0.435 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -78.42 63.7 8.43 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.429 2.753 . . . . 0.0 112.132 -175.73 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -141.04 -72.52 0.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.448 -179.481 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 m -81.01 -16.83 52.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.182 -176.732 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 52.9 p -77.89 147.63 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -177.112 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.02 139.89 49.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 tt -107.77 121.66 61.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 170.589 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.02 153.95 23.88 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.661 -174.749 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.08 148.51 48.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.449 -179.0 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.35 -96.01 0.2 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.819 -177.924 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -140.27 158.88 43.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.677 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.83 116.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.318 -177.506 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.85 3.28 64.21 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.919 177.53 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.6 t -91.9 126.21 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.819 0.343 . . . . 0.0 110.5 178.734 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 93.1 m-85 -124.89 23.49 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 178.15 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 8.3 t -76.79 -22.86 53.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.21 -172.686 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -149.56 88.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.471 0.653 . . . . 0.0 110.082 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 4.5 m -122.52 159.11 28.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.562 -177.678 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -129.66 144.63 51.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.49 0.186 . . . . 0.0 110.51 -179.59 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.58 125.45 26.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 110.075 179.707 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.1 p -76.68 110.85 11.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.98 -173.074 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -94.85 -14.88 24.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.169 0.509 . . . . 0.0 109.982 175.655 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -92.02 117.33 29.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.331 174.295 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -78.91 64.47 3.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.817 -171.084 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.1 mmt -109.34 23.97 13.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.167 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.789 -164.75 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -127.24 134.3 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 171.302 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -76.98 120.89 22.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.031 0.443 . . . . 0.0 111.329 -173.712 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 tp -76.49 135.01 39.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.04 -178.956 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -131.76 150.96 19.64 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.642 177.648 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 92' ' ' LEU . 63.4 tp -123.24 137.56 54.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.613 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.0 m -112.03 111.97 23.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.327 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.16 153.63 23.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.046 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 90' ' ' LEU . 32.2 mt -56.41 122.89 12.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 44' ' ' CYS . 15.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.219 -179.455 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -138.13 90.69 2.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.477 -178.076 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 m -148.75 155.75 41.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.698 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.88 21.79 0.3 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.059 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -116.09 -0.95 12.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 174.245 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.74 143.61 30.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.56 -25.09 15.4 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.948 2.432 . . . . 0.0 112.252 -177.109 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.61 -1.95 54.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -90.98 99.16 12.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.347 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.139 0.495 . . . . 0.0 111.142 -178.308 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.57 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.907 179.721 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD21 ' A' ' 84' ' ' LEU . 4.4 ptp180 -143.53 157.68 44.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.444 . . . . 0.0 110.376 -178.486 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.7 mt -102.21 120.46 40.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 168.691 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.5 p -57.71 152.35 15.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.632 0.73 . . . . 0.0 112.846 -169.757 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -70.14 55.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.212 176.661 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m -95.84 -27.24 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.197 -177.831 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -161.2 -65.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 -177.893 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 35.1 t -136.38 155.49 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.116 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 84' ' ' LEU . 12.6 pttm -70.79 -11.72 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -176.368 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.481 ' HB2' ' OE2' ' A' ' 134' ' ' GLU . 77.6 m -106.97 -5.85 17.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.252 -178.087 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 12.4 pt20 -151.48 114.81 4.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.528 0.68 . . . . 0.0 111.267 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -176.52 -153.0 10.18 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.007 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -85.76 135.93 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.575 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.78 112.58 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 0.0 110.076 178.738 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -115.37 128.97 56.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -119.46 147.54 23.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.025 0.441 . . . . 0.0 111.386 -174.875 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -92.02 118.27 30.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.602 178.437 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -109.29 174.14 6.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.386 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -54.74 -38.05 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.528 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -101.12 26.73 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.291 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.83 -175.97 16.82 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.832 172.485 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.05 137.28 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 -179.591 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -132.96 143.98 49.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.276 -179.202 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.88 139.04 37.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.47 131.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 179.522 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 t -96.77 148.05 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.666 178.112 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.6 p -66.23 -13.09 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 -177.915 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' A' ' 66' ' ' ARG . 78.2 mm-40 -81.84 11.97 4.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 111.287 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -82.11 144.99 30.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 65.85 9.85 6.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.453 0.701 . . . . 0.0 111.447 179.366 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.69 151.43 5.46 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 1.3 mpp_? -78.99 84.7 4.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.343 0.592 . . . . 0.0 111.225 -178.816 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 129.6 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 174.484 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -89.49 -22.68 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.487 -176.121 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -108.11 -81.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.43 -177.297 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.93 173.08 13.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -174.522 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -102.68 157.49 16.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.323 177.147 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.24 -15.97 61.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.817 -167.399 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.531 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 6.4 t70 -138.81 87.62 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.015 -177.586 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.53 -21.46 25.83 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.845 2.363 . . . . 0.0 111.8 176.273 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 p -69.87 -3.71 17.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.244 -177.617 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 12.6 mm-40 -80.37 -17.5 51.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 172.941 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.37 7.54 45.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.427 -175.138 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 m -55.98 -33.99 65.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.342 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.2 mmtm -65.21 -34.37 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.306 179.858 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -64.67 -44.47 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.939 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.9 m -59.03 -38.85 80.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.12 -38.63 91.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.498 178.122 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 25.2 mmm-85 -65.82 -26.16 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.331 178.84 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 36' ' ' ARG . 4.5 mm? -92.82 2.14 56.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.244 177.827 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 64.56 46.99 3.05 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.446 0.641 . . . . 0.0 110.47 -178.273 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.52 179.58 5.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.255 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.55 -164.71 38.25 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.457 -179.546 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.6 151.14 53.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.773 0.429 . . . . 0.0 112.021 -176.38 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.95 117.73 2.29 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.239 2.626 . . . . 0.0 112.979 179.501 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -76.21 -31.05 58.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.05 179.64 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.7 m -154.62 152.38 29.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.239 -176.94 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 130' ' ' LEU . 25.6 tp -141.57 90.66 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.812 178.564 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 128' ' ' LEU . . . -161.81 -113.87 0.31 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.304 -0.951 . . . . 0.0 113.001 -175.601 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -95.9 159.92 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.845 2.363 . . . . 0.0 112.83 -179.365 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.0 t80 -142.18 -60.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 175.019 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 87.8 mt -125.19 143.5 50.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.856 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 10.0 mtmp? -92.71 70.05 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.995 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -71.59 -38.2 70.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.985 -178.378 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 76.8 m-85 50.79 44.41 27.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.863 0.363 . . . . 0.0 111.907 -178.827 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.4 m -116.4 90.05 28.79 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 121.144 0.497 . . . . 0.0 109.895 177.374 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.99 69.82 3.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 123.363 2.709 . . . . 0.0 112.23 -177.581 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -166.85 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.068 178.312 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 p -72.26 -39.78 68.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.476 179.236 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.4 p -88.53 126.88 35.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.283 175.734 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.2 159.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.332 -176.14 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -113.55 114.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.655 176.404 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 71.7 m -99.03 146.8 25.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.386 179.559 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -145.87 160.73 41.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 178.239 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.36 -82.01 0.27 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -138.65 143.51 39.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.024 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.41 110.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.301 0.376 . . . . 0.0 110.621 179.315 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.78 -16.27 28.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.95 -178.384 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -96.2 142.67 28.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 85.5 m-85 -124.53 27.75 6.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.411 179.26 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.3 m -62.46 -32.47 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.03 -174.706 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -136.24 108.62 7.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.032 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 23.5 m -128.05 147.45 50.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.149 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.7 m -128.59 157.77 40.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -68.58 133.05 47.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.43 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -58.31 121.6 11.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.857 -172.222 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 121' ' ' ARG . 1.6 mmp_? -105.25 0.36 27.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.765 176.27 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.69 122.56 46.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.857 -173.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.83 38.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.965 0.888 . . . . 0.0 111.0 -176.257 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.6 mtt -120.39 18.29 12.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.21 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.52 110.91 9.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.658 -171.617 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.86 134.57 42.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.246 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 m -66.36 116.58 7.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.152 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 93' ' ' GLY . 8.8 tt -62.58 124.93 22.25 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.747 0.654 . . . . 0.0 111.035 -171.581 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.19 119.78 5.8 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.994 -179.618 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 92' ' ' LEU . 50.5 tp -104.4 115.5 30.48 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.035 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.0 m -101.26 94.54 6.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 -177.103 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.489 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 12.5 m -99.2 150.08 22.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.141 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.21 127.78 33.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 44' ' ' CYS . 20.3 mp0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.739 169.915 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.719 0.295 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.44 82.97 2.0 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.3 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m -113.33 155.48 25.1 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.24 22.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 111.236 175.687 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HE1' ' HA ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -120.54 -4.97 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.964 174.954 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 8.6 m-20 -75.77 129.45 81.32 Favored Pre-proline 0 CA--C 1.519 -0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.108 178.625 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 83.5 Cg_exo -48.36 -44.62 28.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.389 2.726 . . . . 0.0 113.972 -169.237 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.03 25.67 10.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.354 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -71.4 107.53 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.847 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 72.4 mt-30 -75.14 118.65 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 111.252 -175.35 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.83 149.54 31.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.126 178.13 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 36' ' ' ARG . 5.1 ptp180 -139.07 155.73 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.092 0.472 . . . . 0.0 110.236 179.763 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -101.33 130.72 47.55 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 170.699 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -66.42 167.95 9.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.086 0.47 . . . . 0.0 111.351 -174.382 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -81.83 47.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.648 -173.268 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -67.71 -33.29 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -154.58 -50.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.333 174.947 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -160.5 170.1 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.966 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.766 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.62 -3.17 20.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.841 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.6 m -105.75 5.59 31.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.507 178.883 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 2.6 pt20 -162.25 123.86 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.986 176.433 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.45 -160.7 34.35 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.332 179.495 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.7 131.08 41.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 HD23 ' A' ' 128' ' ' LEU . 53.9 tp -78.63 115.0 18.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.086 0.47 . . . . 0.0 110.49 179.176 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -118.95 129.87 55.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' TRP . 35.9 m -120.34 153.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.959 0.409 . . . . 0.0 111.595 -173.278 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 87.8 t80 -97.5 113.04 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.853 175.811 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.51 -168.42 1.63 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.919 178.041 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.812 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.31 -41.19 72.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.416 0.627 . . . . 0.0 110.094 177.979 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -88.33 20.26 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.715 -178.309 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 -159.45 28.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.146 173.58 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 50' ' ' VAL . 88.7 m95 -81.75 117.25 21.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.048 0.452 . . . . 0.0 110.655 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.81 142.4 46.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 179.613 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtp -71.62 143.2 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.014 178.488 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.77 129.88 47.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 0.0 110.477 178.643 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.6 136.43 36.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.961 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 50.7 p -66.5 -7.0 16.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.829 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.638 ' HB3' ' HG3' ' A' ' 66' ' ' ARG . 5.9 mm100 -89.6 15.56 9.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -176.489 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.4 m -79.42 143.06 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.275 -177.203 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.47 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 4.6 m-90 60.02 17.61 6.87 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.517 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.29 93.65 0.1 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.638 ' HG3' ' HB3' ' A' ' 62' ' ' GLN . 35.9 ttp180 -73.45 82.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.5 0.667 . . . . 0.0 110.555 -178.223 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -127.64 142.17 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.382 -179.681 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 62.29 5.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 176.877 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -140.82 144.71 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.835 -175.344 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.694 ' NE2' ' HB3' ' A' ' 91' ' ' SER . 7.9 tp60 -66.3 129.67 40.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.313 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.483 ' HD1' ' HA2' ' A' ' 93' ' ' GLY . 90.6 m95 -69.43 127.19 32.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.648 . . . . 0.0 111.396 -175.104 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.82 -23.43 63.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.727 -174.62 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -121.91 88.57 47.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.529 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.04 -14.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.851 2.367 . . . . 0.0 112.014 177.123 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 50.7 m -65.95 -21.84 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.739 -175.265 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.593 ' HA ' ' HE1' ' A' ' 29' ' ' TYR . 15.8 mm100 -65.75 -13.04 58.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 176.061 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.12 13.45 27.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 110.892 177.969 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 40.9 t -56.55 -43.62 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.811 -177.609 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -62.2 -27.2 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.329 -175.461 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD23 ' A' ' 84' ' ' LEU . 95.9 t -64.97 -52.14 57.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.09 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.2 m -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.477 177.833 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 78' ' ' SER . 31.9 mm-40 -62.14 -47.22 85.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.638 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -70.04 -21.49 63.17 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.698 0.285 . . . . 0.0 111.726 179.708 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 80' ' ' VAL . 3.9 mm? -82.58 -3.15 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.577 173.515 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 66.94 31.79 6.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -178.205 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.59 -174.69 2.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.25 175.927 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.58 -143.45 10.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.511 179.193 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.44 153.01 87.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.735 0.302 . . . . 0.0 110.813 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 57.7 Cg_endo -78.69 114.48 3.46 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.932 2.421 . . . . 0.0 111.935 177.397 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.32 -49.32 13.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.084 -176.962 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.694 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . 54.1 m -144.53 149.62 36.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 -174.894 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 130' ' ' LEU . 34.5 tp -146.58 140.06 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.373 -179.501 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.483 ' HA2' ' HD1' ' A' ' 71' ' ' TRP . . . 147.11 -157.89 27.55 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.552 178.362 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 90.91 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.933 2.422 . . . . 0.0 111.781 177.884 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.917 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.6 t80 -73.42 -75.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.978 -177.533 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' PHE . 6.2 mp -130.92 148.08 52.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.584 176.93 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HD2' ' HB3' ' A' ' 124' ' ' MET . 29.0 ttpp -91.6 90.0 7.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 m -67.58 -27.11 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.821 176.5 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HE2' ' HG2' ' A' ' 124' ' ' MET . 17.3 t80 60.03 74.47 0.44 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.468 0.652 . . . . 0.0 110.7 175.416 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 m -139.91 73.19 33.76 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.987 177.813 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 67.52 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.307 2.671 . . . . 0.0 112.794 -176.148 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -172.58 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.622 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.5 t -85.29 -4.5 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.149 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 p -106.33 141.76 37.12 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.545 179.163 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.4 pt -115.24 152.29 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.617 178.538 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.83 127.64 75.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 65.2 m -104.18 147.91 26.91 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.867 -176.674 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -147.25 163.53 36.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.05 -115.77 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.549 -177.533 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.532 ' HB2' ' OG ' ' A' ' 113' ' ' SER . 17.9 mp0 -90.67 148.39 22.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.392 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.9 111.89 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -175.51 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 102.8 -7.59 53.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.605 178.521 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.532 ' OG ' ' HB2' ' A' ' 110' ' ' GLN . 50.4 m -77.73 109.91 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 111.631 -179.565 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.47 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 84.4 m-85 -94.59 19.29 10.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.33 0.586 . . . . 0.0 110.007 173.864 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.4 t -91.31 -9.5 44.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.525 -178.025 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -138.07 76.12 1.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.647 -178.379 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 33.6 m -125.64 148.59 48.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.319 -178.011 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -132.11 170.32 15.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -73.64 136.52 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.595 0.236 . . . . 0.0 110.522 -179.108 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 m -84.31 85.48 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 0.0 110.066 179.3 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 121' ' ' ARG . 14.6 mmm-85 -96.72 38.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -96.49 -164.04 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -176.321 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.913 -178.83 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' ' HE2' ' A' ' 99' ' ' TYR . 62.8 mtt -105.88 86.19 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.608 -177.959 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.57 122.99 22.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 173.32 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -95.46 137.42 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.597 178.298 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -73.13 125.58 28.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.726 0.298 . . . . 0.0 110.274 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 56.8 tp -67.4 111.71 4.21 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.096 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.917 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.95 138.8 14.25 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.984 -177.817 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -123.3 124.51 43.14 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.38 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -108.18 108.81 20.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.332 178.838 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.9 m -106.22 146.58 30.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.87 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.56 125.03 20.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 176.701 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.807 179.914 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.662 0.268 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -166.7 69.06 0.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.993 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.0 m -95.93 155.16 16.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.001 -172.674 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.92 18.0 0.2 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.207 0.527 . . . . 0.0 111.04 176.413 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' SER . 76.4 m-85 -110.7 -6.14 14.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.021 172.857 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -74.83 138.96 73.28 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.39 -1.06 9.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.992 2.462 . . . . 0.0 112.738 -176.165 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -120.35 14.53 12.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.263 0.554 . . . . 0.0 110.46 178.631 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -81.85 136.69 35.35 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 179.847 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -127.46 125.11 39.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.619 -179.153 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.14 161.4 38.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 179.436 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.9 ptp180 -146.44 164.48 32.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.632 178.587 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.87 122.44 47.54 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.028 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 16.8 p -64.27 143.68 57.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.999 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 40' ' ' SER . 26.6 ptt-85 -41.92 -56.12 2.87 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.118 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 23.7 t 58.88 -78.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 110.68 -174.251 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -143.6 -40.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -125.62 146.16 49.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.534 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.628 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.06 23.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -171.932 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 47.5 t -138.92 10.66 2.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.703 0.763 . . . . 0.0 110.181 178.912 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.02 135.41 15.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 177.515 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.46 -161.15 31.52 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 119.52 -1.324 . . . . 0.0 112.83 178.577 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.515 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 25.3 mp0 -73.15 130.86 41.19 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.349 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.52 122.75 22.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -178.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -122.48 125.84 46.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.09 150.75 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.005 0.431 . . . . 0.0 111.241 -174.372 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -94.44 106.18 18.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.842 178.363 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -96.32 -172.74 2.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.852 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.684 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.46 -33.0 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 -179.639 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -72.57 -45.44 59.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.957 176.805 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.29 -156.01 26.76 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.479 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.2 m95 -81.16 116.49 21.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 -178.81 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.86 142.42 50.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.0 mtp -76.43 146.42 38.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.951 178.277 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.64 131.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 110.849 -179.642 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.18 144.83 25.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.969 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.562 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 95.5 p -75.88 12.36 1.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.91 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 29.6 mm-40 -94.65 7.1 46.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.078 0.466 . . . . 0.0 109.925 175.18 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 107' ' ' CYS . 50.4 m -81.92 129.78 34.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.904 -177.87 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 68.42 -62.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 -178.363 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.49 134.63 11.03 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 3.2 mpt_? -77.65 83.29 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.743 0.782 . . . . 0.0 109.407 -177.456 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 m -82.69 83.41 7.67 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.2 -170.328 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 m -79.81 -25.33 40.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 165.13 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -118.94 166.07 13.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.243 -1.344 . . . . 0.0 107.777 174.484 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -91.3 139.52 30.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.743 0.306 . . . . 0.0 111.112 -174.134 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -85.55 146.57 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.986 177.303 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.97 56.94 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.451 -174.439 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.4 t70 -156.25 81.13 3.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.986 174.533 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.51 -7.5 13.73 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.855 2.37 . . . . 0.0 111.799 177.087 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 t -59.46 -31.88 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.034 -178.238 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.47 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 84.3 mm-40 -60.58 -26.85 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 111.214 178.937 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.6 8.79 44.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.619 -175.023 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.434 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.4 t -58.85 -33.88 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.077 179.723 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 43.7 mmtm -63.65 -41.84 98.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.085 177.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.01 -46.13 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.208 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 98.1 m -58.58 -38.37 77.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 177.115 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.14 -43.94 93.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.185 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 21.0 mmm180 -67.04 -24.6 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.9 -178.817 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 3.25 55.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.311 177.834 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.41 46.83 9.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.909 0.862 . . . . 0.0 110.354 -178.886 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.9 174.25 6.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 -149.11 3.26 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.701 177.27 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.47 155.7 92.35 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.612 0.244 . . . . 0.0 110.951 178.46 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 2.0 Cg_endo -80.48 120.84 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.094 2.53 . . . . 0.0 111.839 178.231 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.16 -49.95 10.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.862 -178.37 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.9 p -144.96 149.56 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.03 -176.31 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 130' ' ' LEU . 26.9 tp -146.5 126.55 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.872 179.675 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.31 -144.66 14.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.228 178.276 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.49 85.75 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.369 2.046 . . . . 0.0 111.536 178.062 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.55 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 77.7 t80 -84.6 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.728 -175.667 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 127' ' ' SER . 41.1 tp -134.3 148.69 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -177.126 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD2' ' ND1' ' A' ' 126' ' ' HIS . 3.5 mppt? -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 177.413 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -72.74 -31.39 64.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 170.741 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.4 t80 55.63 70.05 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.582 172.24 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.2 m -150.14 81.37 6.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.96 64.29 2.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.92 2.413 . . . . 0.0 112.505 -179.044 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.0 -58.21 0.35 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.526 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -74.45 -18.05 60.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.597 178.189 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 p -96.87 144.11 27.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 pt -116.11 164.58 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.22 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -123.22 133.55 68.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.819 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.0 t -123.21 158.19 31.39 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.734 -175.235 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -148.19 165.41 31.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.78 -124.03 4.48 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -173.711 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -99.76 135.05 41.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.877 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.6 tp -54.41 111.35 0.77 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.955 -176.451 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.93 -4.11 36.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.673 177.858 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 4.1 t -117.09 118.97 33.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.107 0.479 . . . . 0.0 110.719 -179.731 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.406 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.9 m-85 -86.11 51.54 2.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.855 178.646 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -72.54 -37.68 68.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.037 -174.915 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -143.38 95.13 2.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.257 179.879 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 9.3 m -108.74 160.24 16.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.895 -179.902 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.9 m -144.63 172.27 13.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -66.61 140.26 57.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.593 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -64.93 99.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.311 0.576 . . . . 0.0 111.399 -176.723 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -96.12 17.43 15.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.295 175.226 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -104.37 120.52 41.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.083 -177.802 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.44 -31.23 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.687 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -93.07 63.73 3.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.161 0.505 . . . . 0.0 109.79 176.563 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.6 t -87.87 98.3 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.375 0.607 . . . . 0.0 110.799 -179.119 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.562 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 17.7 m-70 -87.69 133.3 33.86 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.622 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 15.0 m -68.81 129.84 41.08 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.144 179.823 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 tt -75.45 110.83 10.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.817 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -109.57 132.91 11.31 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.775 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -111.61 133.63 53.73 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.331 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.5 m -122.39 106.27 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.192 178.552 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 20.4 m -95.52 158.9 15.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.004 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.61 46.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.813 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.472 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 6.8 tp10 . . . . . 0 C--O 1.253 1.255 0 O-C-N 123.817 0.698 . . . . 0.0 110.898 177.903 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.048 0.452 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 53' ' ' LYS . 6.3 mp -122.15 94.36 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.367 172.291 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 p -109.26 154.6 22.22 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.463 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.87 10.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 111.58 178.845 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.72 -9.29 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.113 172.311 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 3.1 m-20 -66.51 126.08 91.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 177.347 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.5 Cg_exo -60.22 -24.02 75.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.002 2.468 . . . . 0.0 112.691 -179.034 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -113.03 27.3 9.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.336 179.071 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.671 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 54.2 t80 -85.2 92.63 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.928 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 80.9 mt-30 -65.39 129.04 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.191 -176.179 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.1 150.86 36.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.129 177.168 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -140.52 152.73 45.8 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.164 0.506 . . . . 0.0 110.455 -178.819 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 97.1 mt -102.1 141.56 34.75 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 170.298 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 38.4 p -58.05 159.02 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.441 178.868 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 39' ' ' ARG . 3.2 mmp_? -74.14 56.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -177.646 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -71.39 -53.35 14.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.949 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -157.6 -61.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.532 . . . . 0.0 109.682 179.273 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 t -131.29 161.19 32.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.786 -176.418 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -72.09 -0.09 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.0 m -101.52 -3.48 28.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.829 179.473 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -157.9 130.99 7.51 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.918 -0.489 . . . . 0.0 111.753 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.87 -161.43 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.223 177.169 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 35.1 tt0 -84.16 138.25 33.1 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.538 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 tp -89.25 117.25 28.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.289 0.566 . . . . 0.0 112.156 -173.44 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -116.15 130.77 56.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.297 172.708 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.72 151.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 110.772 -178.616 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.2 t80 -96.0 110.6 22.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.248 179.442 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.8 178.89 6.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.331 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.7 mttt -60.37 -37.95 82.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -178.19 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.76 -37.4 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.708 -178.912 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.07 -174.27 44.79 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 119.599 -1.286 . . . . 0.0 113.815 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.23 139.58 42.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.419 -0.391 . . . . 0.0 111.006 -177.027 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -146.28 148.15 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.078 0.466 . . . . 0.0 111.534 -179.385 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtp -83.58 130.44 34.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.021 179.087 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.02 122.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -81.12 137.24 35.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.343 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 p -76.4 41.1 0.24 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.396 0.617 . . . . 0.0 111.064 -178.863 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.559 HE21 HD11 ' A' ' 106' ' ' ILE . 10.0 pt20 -141.92 36.8 1.59 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.728 0.775 . . . . 0.0 109.226 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.6 m -102.59 160.71 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.607 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.407 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 4.6 m-90 60.7 20.79 10.79 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.032 0.533 . . . . 0.0 111.615 177.66 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 15.26 81.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.273 -178.254 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG3' HD12 ' A' ' 111' ' ' LEU . 16.0 mmt180 -96.19 133.05 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 p -79.54 160.32 26.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 m -77.78 67.83 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.148 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -139.44 135.43 33.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.265 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 53.0 tt0 -72.67 116.03 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 -176.773 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -88.62 178.42 6.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -86.8 31.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.242 -177.933 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t70 -155.29 87.61 3.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 -176.589 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -101.85 1.3 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.058 2.505 . . . . 0.0 112.208 171.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -81.29 -9.55 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.396 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 85.4 mm-40 -69.0 -24.55 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.651 177.844 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.73 16.91 16.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.099 -177.905 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 8.3 p -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.306 179.08 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -63.24 -34.01 76.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.8 -47.36 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.083 178.44 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.96 -33.0 72.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.66 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 78' ' ' SER . 79.1 mm-40 -63.03 -48.15 79.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.015 179.009 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -20.75 63.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.689 179.676 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.86 1.9 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 176.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 t30 63.13 47.96 3.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.637 179.06 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.6 m -129.61 178.18 6.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.59 -145.25 12.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.936 -178.653 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.74 150.83 96.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.748 0.309 . . . . 0.0 111.048 -177.51 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.95 111.21 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.747 2.298 . . . . 0.0 111.889 177.332 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.94 -51.14 11.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.891 -177.618 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.4 m -135.58 149.06 49.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -176.394 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 128' ' ' LEU . 6.2 tt -147.37 116.94 7.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -177.793 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.31 34.92 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.611 -178.673 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 109.42 2.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.604 2.203 . . . . 0.0 112.163 -179.396 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.438 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 86.7 t80 -96.91 -26.64 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.612 -174.565 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.74 140.34 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.74 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -94.2 58.79 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.59 0.71 . . . . 0.0 110.742 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 m -67.67 100.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.288 -177.851 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 124' ' ' MET . 55.3 m-85 -86.51 49.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 0.0 110.232 177.094 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -132.88 112.13 13.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.732 -177.622 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.62 ' HG3' ' HA ' ' A' ' 123' ' ' ASP . 17.2 Cg_endo -91.25 104.41 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.268 2.645 . . . . 0.0 112.392 178.816 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -149.12 -68.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.428 . . . . 0.0 110.405 177.716 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 m -112.2 25.29 11.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.309 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -95.36 142.42 27.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.279 -178.545 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.73 154.39 38.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 112.381 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.559 HD11 HE21 ' A' ' 62' ' ' GLN . 47.6 mt -118.83 125.15 74.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.079 170.765 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.0 m -93.6 140.99 28.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -117.85 139.72 50.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.141 -179.402 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.51 -150.72 16.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.048 -177.743 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -82.74 136.43 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -178.121 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.728 HD12 ' HG3' ' A' ' 66' ' ' ARG . 10.0 tt -54.49 124.19 15.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.657 -179.907 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.37 -20.47 18.61 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.679 -177.923 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.1 t -99.41 114.45 27.37 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.322 0.582 . . . . 0.0 111.145 -179.611 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -99.96 22.88 10.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.359 175.906 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.5 t -70.22 -24.67 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.884 -175.219 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -140.26 94.84 2.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 14.7 m -125.92 144.97 50.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.824 177.803 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -125.78 157.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.868 -176.113 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -58.89 127.41 32.07 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.084 179.095 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.4 p -77.73 82.26 4.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.009 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 25.7 tpt180 -77.72 80.74 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.366 0.603 . . . . 0.0 110.719 -176.023 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.433 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 15.6 t-20 -161.82 155.67 21.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.284 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.62 ' HA ' ' HG3' ' A' ' 101' ' ' PRO . 9.6 p-10 -77.28 32.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -172.618 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.639 ' HA ' ' HA ' ' A' ' 99' ' ' TYR . 13.3 ptp -163.06 146.95 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.967 179.013 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.3 t -146.97 109.13 4.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.705 170.514 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -63.21 102.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 170.902 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 m -75.59 126.78 31.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.902 0.382 . . . . 0.0 111.198 -171.92 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 92' ' ' LEU . 54.3 tp -75.62 133.92 40.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.884 178.947 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -137.98 158.25 24.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.582 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 131' ' ' THR . 3.4 tt -137.89 147.19 44.21 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.857 0.36 . . . . 0.0 110.064 -176.106 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.557 ' N ' HD23 ' A' ' 130' ' ' LEU . 37.7 m -119.4 102.0 8.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.902 177.045 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.5 ' SG ' HD22 ' A' ' 130' ' ' LEU . 19.4 m -88.94 146.31 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.073 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.51 124.44 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 178.481 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.976 -178.394 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -116.2 101.91 9.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.527 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 m -147.64 153.71 39.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.818 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -79.41 26.0 0.3 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 111.832 -176.286 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.804 ' HA ' ' HD2' ' A' ' 79' ' ' LYS . 67.2 m-85 -117.66 -0.05 11.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.839 173.293 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.58 137.67 21.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.06 -13.13 37.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.052 2.501 . . . . 0.0 112.91 -177.046 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -96.11 2.06 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.99 178.667 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -86.13 111.51 20.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 16.5 mm-40 -98.35 142.07 30.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.01 179.114 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -156.32 148.76 23.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.409 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -147.6 147.48 30.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.172 0.51 . . . . 0.0 111.334 -178.722 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 130' ' ' LEU . 67.8 mt -93.75 111.14 22.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.138 175.371 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -118.97 -173.46 2.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.58 -174.433 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 63.33 20.54 12.32 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.004 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.1 p -156.39 160.53 39.73 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.196 -178.396 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.86 -7.15 23.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.991 0.901 . . . . 0.0 108.897 178.176 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 8.6 m -79.46 111.7 15.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.112 175.623 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -75.22 -14.43 60.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 -170.33 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 62.2 m -119.19 17.02 13.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.88 0.371 . . . . 0.0 110.72 178.434 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 42' ' ' SER . 25.6 tt0 -159.24 114.31 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.692 -178.243 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.36 24.24 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.967 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.451 HE21 ' CB ' ' A' ' 127' ' ' SER . 54.2 mt-30 -92.0 136.25 33.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 110.328 -179.101 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.7 tp -87.25 114.92 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.171 0.51 . . . . 0.0 111.75 -172.652 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 55.8 mt-10 -110.18 128.19 55.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.944 169.786 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.76 152.55 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.791 -177.12 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 88.6 t80 -99.03 117.37 33.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -107.96 179.33 4.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 171.004 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -57.76 -31.6 66.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.17 0.441 . . . . 0.0 111.804 -174.573 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.96 -20.89 34.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.534 -176.049 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.35 -151.11 23.19 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.524 -177.407 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.464 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.7 m95 -96.45 143.28 27.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 111.108 -175.709 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -145.91 143.86 29.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 75.1 mtp -83.19 140.11 32.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.054 178.87 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -103.42 135.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.958 -178.439 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -87.58 142.61 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.456 174.174 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.9 p -72.95 -2.54 21.36 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.867 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 -0.14 41.84 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.541 178.26 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -69.53 161.26 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.925 -176.083 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.97 29.36 18.97 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.689 175.598 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.32 36.68 79.11 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.964 175.913 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.516 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 60.7 mtt180 -87.0 102.74 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.873 0.368 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -88.15 2.02 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -114.34 174.92 5.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.423 -176.871 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -70.49 -49.97 42.87 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.519 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.759 177.052 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.516 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 3.8 t90 -92.31 145.64 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 174.103 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.06 57.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.456 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -170.52 100.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.13 171.411 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 62.0 Cg_endo -94.09 -2.32 2.93 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.174 2.583 . . . . 0.0 111.592 170.571 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 0.9 OUTLIER -63.51 -25.92 68.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.875 -167.985 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.21 -12.94 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -174.973 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.22 34.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.04 0.448 . . . . 0.0 111.243 -177.976 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -52.4 -56.19 16.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.212 -177.476 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.804 ' HD2' ' HA ' ' A' ' 29' ' ' TYR . 96.8 mttt -72.22 -10.71 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.051 -171.883 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 84.8 t -74.5 -56.31 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.017 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.8 -36.73 85.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.753 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 6.0 tp60 -63.19 -44.51 95.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.981 179.116 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.68 -5.45 53.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.762 -179.38 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 95.9 mt -97.48 2.09 49.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.727 0.298 . . . . 0.0 110.287 171.171 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 64.09 39.57 7.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.145 -179.516 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 76.0 m -118.06 -178.98 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.939 177.357 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.77 178.99 52.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.597 175.36 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 133' ' ' LEU . 3.1 p-10 -61.85 149.07 86.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 0.0 111.822 -176.0 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.573 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 18.7 Cg_endo -58.55 121.85 10.66 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.441 2.761 . . . . 0.0 113.092 -175.83 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -41.96 6.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.886 -174.347 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.476 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 9.0 m -140.89 158.88 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.727 -176.622 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' HG ' ' H ' ' A' ' 93' ' ' GLY . 21.3 tp -153.27 174.13 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.992 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.521 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 121.86 -150.16 17.07 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.696 174.344 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -85.16 103.45 0.81 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.862 2.375 . . . . 0.0 112.048 179.27 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.063 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.4 t80 -83.68 -49.04 9.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.559 -174.015 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 73.8 mt -139.34 153.67 47.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 111.21 -176.69 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -98.06 66.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.044 178.73 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.3 m -57.69 -36.83 72.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.664 178.754 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 55.5 54.14 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.129 0.49 . . . . 0.0 110.619 173.686 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.1 m -144.9 87.32 7.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.525 -177.622 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HA ' ' OG ' ' A' ' 104' ' ' SER . 4.2 Cg_exo -79.88 57.83 6.68 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 123.116 2.544 . . . . 0.0 112.1 -179.16 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -116.46 -26.95 6.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.797 -178.834 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 m -139.58 21.99 2.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.429 -178.138 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 101' ' ' PRO . 10.8 p -101.77 143.58 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.143 -176.584 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.5 pt -124.07 156.06 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.055 0.455 . . . . 0.0 110.64 178.748 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tt -126.2 133.08 69.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.691 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -106.64 150.36 26.29 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.807 0.337 . . . . 0.0 111.438 -174.394 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -124.43 164.4 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.782 178.061 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.55 -125.8 8.49 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.917 175.252 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.9 134.22 41.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.659 0.266 . . . . 0.0 110.975 -175.185 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.19 113.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.896 179.721 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 114.63 -15.17 19.8 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.148 -179.253 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -97.52 130.58 44.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.067 0.461 . . . . 0.0 110.402 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.28 23.5 12.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.228 177.488 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.2 m -83.58 -14.65 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.714 -177.779 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -132.49 79.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 110.402 178.697 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.9 m -124.27 158.64 32.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.041 179.654 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.2 t -134.67 146.34 49.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -63.19 116.65 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.973 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 t -78.59 111.65 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -173.977 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -105.36 49.1 0.82 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.0 109.446 179.145 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -134.16 134.1 41.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.082 -178.547 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.31 -17.4 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 178.518 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 51.4 mtm -82.26 50.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.991 177.567 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 118.71 27.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.363 -177.459 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -100.18 129.94 46.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.649 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.451 ' CB ' HE21 ' A' ' 47' ' ' GLN . 15.4 m -72.69 135.13 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.594 -174.331 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -73.28 126.49 30.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.683 -179.146 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 1.063 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.42 146.53 18.85 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.099 177.153 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.49 HD13 HD13 ' A' ' 92' ' ' LEU . 61.2 tp -127.3 131.11 50.54 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 -178.34 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 38.4 m -113.55 108.91 17.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.753 174.377 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 43.2 m -86.67 157.54 19.65 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 176.181 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 2.9 tt -60.78 93.99 0.03 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 110.836 -176.511 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.602 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -140.06 154.36 47.05 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.614 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -70.73 1.78 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.704 0.288 . . . . 0.0 111.698 -178.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.57 -18.37 19.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.2 m-20 -66.98 140.89 96.32 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 21.2 Cg_exo -65.93 -22.25 56.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 111.811 176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.67 -17.09 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.633 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.2 t80 -72.77 128.9 36.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.382 0.61 . . . . 0.0 110.457 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -114.91 133.65 55.81 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.139 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.549 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -150.68 157.77 43.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.386 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -147.35 152.43 38.19 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.827 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.739 ' H ' HD21 ' A' ' 84' ' ' LEU . 83.9 mt -90.94 126.73 36.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 169.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -57.08 152.28 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.545 0.528 . . . . 0.0 111.425 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -43.75 -59.24 2.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.772 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t 48.85 -93.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.949 0.78 . . . . 0.0 112.729 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -138.47 -40.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.014 0.435 . . . . 0.0 110.075 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 48.2 t -136.08 142.27 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -4.73 41.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 111.146 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -112.87 17.6 18.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 51.4 tt0 -158.94 94.6 1.23 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.301 0.572 . . . . 0.0 110.432 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.63 -165.6 24.28 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.549 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -79.01 144.49 34.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -78.17 113.17 15.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.182 0.515 . . . . 0.0 110.53 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.86 120.58 42.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.43 154.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 111.761 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -93.49 117.1 29.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' ILE . 75.8 mt -105.47 -177.66 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.65 -45.33 81.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 3.8 m-20 -63.93 -47.16 81.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.756 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.18 -158.27 28.27 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.039 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.8 m95 -73.84 128.79 36.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.361 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 71.7 m80 -139.77 142.22 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.231 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 104' ' ' SER . 72.7 mtp -80.17 150.68 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.01 132.95 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.889 0.376 . . . . 0.0 110.354 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 t -90.85 136.62 32.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 p -79.95 41.85 0.53 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.636 0.731 . . . . 0.0 111.621 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -130.92 25.86 4.96 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -99.71 157.02 16.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.885 -169.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 59.51 23.23 11.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.978 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.41 26.2 74.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.599 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -102.59 146.38 28.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -90.86 159.01 16.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' PRO . 47.2 m -77.97 55.0 1.37 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.315 0.579 . . . . 0.0 111.882 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.21 147.44 43.78 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.58 115.6 5.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.967 0.413 . . . . 0.0 111.645 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.504 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 11.3 p90 -83.31 171.14 13.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.462 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.31 -9.48 57.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -165.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.639 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.8 t70 -122.66 106.45 34.76 Favored Pre-proline 0 C--N 1.327 -0.381 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.714 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -96.51 -8.98 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 0.0 112.659 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -69.99 -20.75 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.992 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.639 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 77.9 mm-40 -63.19 -13.16 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.72 13.88 27.5 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.2 m -58.54 -41.57 85.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.998 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -62.47 -31.54 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.58 -47.11 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 78.8 m -57.86 -37.67 74.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 109.948 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.55 -37.73 87.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.169 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 83' ' ' ARG . 11.8 mmm180 -64.92 -26.73 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.739 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.2 mp -100.82 7.71 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.29 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.1 t30 58.98 44.44 16.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.7 m -109.92 -176.8 3.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.428 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.23 -158.09 33.89 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -64.58 149.96 94.59 Favored Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 122.716 0.406 . . . . 0.0 110.811 -177.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.3 Cg_exo -76.43 118.4 4.89 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.936 2.424 . . . . 0.0 112.426 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HD23 ' A' ' 133' ' ' LEU . 85.9 mt -79.78 -40.36 28.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.01 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -153.82 152.68 30.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.639 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.7 tt -147.22 114.1 6.12 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.98 -159.77 27.41 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.145 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HG3' ' O ' ' A' ' 68' ' ' SER . 47.1 Cg_endo -69.67 112.89 3.19 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.516 2.144 . . . . 0.0 112.002 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.608 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 50.2 t80 -113.1 92.59 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.016 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt 69.13 -178.23 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.769 0.668 . . . . 0.0 111.105 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 37.7 ttmt -130.31 92.08 3.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.221 -177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -79.65 -48.0 14.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.96 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.44 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 63.52 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.574 0.702 . . . . 0.0 112.714 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.6 m -150.15 82.13 6.55 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.182 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.34 68.71 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.95 3.1 . . . . 0.0 113.113 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 178.63 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -81.34 -35.55 30.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.766 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.5 p -82.42 132.97 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.091 0.472 . . . . 0.0 110.677 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.762 HD13 HD11 ' A' ' 52' ' ' LEU . 31.8 pt -119.94 163.19 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.647 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.5 mt -131.2 123.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.354 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.62 146.74 26.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.09 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -121.19 138.71 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.08 -119.54 2.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.666 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 132.86 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 tp -51.15 114.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.26 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.11 -20.11 10.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.188 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.9 t -89.01 128.5 35.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -113.95 32.05 6.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.287 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -74.18 84.32 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.36 79.23 0.26 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.155 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 58.9 m -87.69 164.36 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.427 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.2 m -104.89 159.57 15.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.753 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -74.21 148.64 41.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 p -75.21 72.31 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 111.495 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -87.83 60.45 5.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -137.97 163.68 30.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.202 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.45 20.24 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.6 ptp -155.07 68.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.271 0.558 . . . . 0.0 111.285 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 52.8 t -100.95 132.42 46.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.995 0.426 . . . . 0.0 109.892 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -121.33 151.52 40.01 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -78.98 136.53 37.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.769 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.14 127.44 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.17 145.69 16.68 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.639 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.639 HD13 ' HG ' ' A' ' 92' ' ' LEU . 61.6 tp -125.69 126.94 45.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.0 m -109.92 108.72 19.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.263 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.4 m -107.0 147.6 29.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.489 HD23 HD11 ' A' ' 90' ' ' LEU . 54.8 mt -61.71 155.22 23.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.48 0.181 . . . . 0.0 110.667 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 1.7 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 115' ' ' SER . 6.5 mp . . . . . 0 C--O 1.225 -0.226 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.9 m -97.0 154.23 17.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -74.08 24.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.115 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 79' ' ' LYS . 27.8 m-85 -132.57 17.21 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.341 171.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -99.73 143.24 26.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.25 -16.87 35.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.985 2.457 . . . . 0.0 112.57 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.57 -8.81 49.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.1 118.36 21.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.8 mm100 -104.44 137.84 41.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.183 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 159.45 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.82 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -153.02 155.66 37.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.16 126.33 51.96 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 77.2 p -62.7 153.69 31.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -80.24 50.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -74.35 -45.32 47.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.281 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 11.8 m120 -122.76 -62.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.963 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 t -152.99 -175.31 5.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.76 -33.42 73.87 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.372 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 82.4 m -97.56 18.85 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 3.3 pt20 -161.42 114.53 1.9 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 111.967 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.52 -161.3 31.07 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.418 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 6.0 mp0 -74.98 142.48 43.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 117.067 0.434 . . . . 0.0 109.927 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.66 106.05 16.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.159 0.504 . . . . 0.0 109.772 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -109.34 123.36 49.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.27 155.21 21.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 111.521 -172.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.4 t80 -92.51 107.39 19.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.133 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.75 HD11 HD13 ' A' ' 105' ' ' ILE . 70.3 mt -84.84 175.98 8.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.777 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.64 -38.43 69.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 109.691 177.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.34 -16.11 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.592 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.15 -179.6 21.34 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.686 -1.245 . . . . 0.0 113.819 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -71.23 130.03 40.39 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.955 0.502 . . . . 0.0 111.629 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -146.18 157.72 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.3 mtp -91.18 137.59 32.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.28 140.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 0.0 111.064 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 t -99.24 140.99 32.59 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 128' ' ' LEU . 79.6 p -67.46 -24.82 65.66 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.76 24.87 2.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.172 0.511 . . . . 0.0 110.846 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.3 t -79.83 161.47 25.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.948 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 56.96 30.42 18.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.865 0.466 . . . . 0.0 111.598 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.62 16.16 69.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.094 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -74.4 159.42 32.36 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 p -72.21 154.04 41.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.098 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 51.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.131 0.491 . . . . 0.0 111.09 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.621 ' HG2' ' H ' ' A' ' 70' ' ' GLN . 42.2 tttp -149.08 -169.28 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 10.3 tt0 -94.78 130.25 41.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -177.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -90.67 161.11 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.915 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.31 41.21 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.73 0.3 . . . . 0.0 111.688 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -155.62 80.23 4.15 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 0.0 110.195 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 93.6 Cg_endo -81.04 -10.18 12.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.556 2.17 . . . . 0.0 112.014 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 7.5 m -64.33 -11.86 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.042 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 34.4 mm-40 -59.02 -25.48 63.72 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.061 175.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.8 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.586 -176.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -54.37 -48.45 71.47 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.35 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 23.1 tptm -61.68 -38.19 86.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.231 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 97.7 t -63.51 -53.92 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.27 -45.9 91.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.11 -42.66 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.769 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.0 mmp_? -74.16 -18.15 60.82 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.936 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 80' ' ' VAL . 9.7 mp -88.27 11.72 15.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.412 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 65.31 37.09 6.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.955 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.2 m -116.77 163.66 15.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.119 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -151.54 25.87 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.235 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.9 m-20 -56.79 148.22 48.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.887 0.375 . . . . 0.0 111.645 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 5.7 Cg_exo -76.24 124.47 7.85 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.946 2.431 . . . . 0.0 111.336 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 133' ' ' LEU . 95.8 mt -88.64 -52.09 5.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 6.4 p -140.46 146.99 38.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.36 113.54 5.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.38 -144.85 8.92 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.841 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.65 103.84 1.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.243 1.962 . . . . 0.0 111.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.998 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 66.3 t80 -84.62 -49.82 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.383 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.9 tp -154.17 151.15 28.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -96.91 82.04 3.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.6 m -73.65 -32.16 63.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.453 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 70.67 -25.91 0.16 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.6 m -50.72 107.19 0.76 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 111.961 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 100' ' ' THR . 17.3 Cg_exo -68.23 -33.26 24.87 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.407 2.738 . . . . 0.0 112.533 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 8.7 tp-100 -64.82 -32.66 74.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.053 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.7 m -88.27 -32.75 18.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.692 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.9 p -92.06 156.56 17.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.408 0.623 . . . . 0.0 112.147 -171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.75 HD13 HD11 ' A' ' 52' ' ' LEU . 24.8 pt -135.35 151.95 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.209 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 mt -119.97 116.36 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 158.77 15.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -131.56 155.33 47.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.83 -125.18 6.55 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.225 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -101.88 141.19 35.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.673 0.273 . . . . 0.0 110.879 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.44 101.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 129.66 -12.58 5.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.397 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.5 t -100.23 119.71 38.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -110.8 31.13 6.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.522 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 26' ' ' LEU . 45.6 m -62.01 -40.09 94.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.944 -172.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -154.93 95.92 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 110.39 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 27.4 m -98.71 151.46 20.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.211 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 m -93.23 135.5 34.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.817 0.342 . . . . 0.0 111.011 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.496 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 10.0 t60 -57.53 125.6 23.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 174.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.5 t -69.94 92.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 0.0 110.94 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -89.88 53.23 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.34 150.89 24.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.36 22.39 10.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 81.0 mtp -109.28 17.25 21.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.238 0.542 . . . . 0.0 109.867 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.5 t -84.2 134.8 34.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.387 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -107.69 119.36 39.22 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -66.16 130.39 43.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 -174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.1 tt -80.32 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.262 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.998 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -123.99 151.16 17.07 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.954 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 60.8 tp -124.38 128.24 48.78 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 74.7 m -116.1 110.07 18.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.6 m -107.83 154.22 21.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 90' ' ' LEU . 30.1 mt -57.79 127.87 34.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.79 0.328 . . . . 0.0 110.524 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 32.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.423 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 29' ' ' TYR . 9.6 t -118.83 145.94 45.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 17.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.042 0.449 . . . . 0.0 111.887 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.611 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -121.31 6.17 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 177.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -95.76 142.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.178 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.93 -12.12 33.59 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.986 2.457 . . . . 0.0 112.766 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.89 1.73 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.339 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.1 117.51 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.2 mp0 -95.61 131.97 41.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.494 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.9 154.27 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.508 ' NH1' ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.96 156.47 42.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.7 mt -99.82 132.83 44.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.508 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 41.1 p -52.04 144.05 12.78 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.678 0.611 . . . . 0.0 111.531 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -75.25 54.18 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.424 0.631 . . . . 0.0 109.33 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -90.6 -66.92 0.88 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.065 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.39 -59.37 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.15 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 1.031 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 37.0 t -123.17 146.07 48.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 109.95 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 43' ' ' LYS . 19.9 ptmt -61.26 -22.8 65.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.756 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 69.3 m -118.64 25.58 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.425 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 1.031 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 28.4 tt0 -159.51 109.78 1.93 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.128 0.49 . . . . 0.0 111.253 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.54 -169.81 38.37 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.06 138.6 47.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 tp -80.0 116.67 20.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.977 0.418 . . . . 0.0 110.888 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.13 127.11 52.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.613 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.67 150.84 15.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -90.01 106.22 18.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.053 0.454 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.25 172.64 8.08 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -54.79 -32.17 59.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.904 0.383 . . . . 0.0 111.351 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.82 34.57 3.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.79 175.79 20.47 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.123 -1.036 . . . . 0.0 114.238 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 93.1 m95 -75.65 136.37 40.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.664 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -143.73 142.24 30.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.184 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.8 mtp -71.72 138.77 48.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.145 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.8 t -93.73 131.27 41.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.679 0.276 . . . . 0.0 110.327 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 98.3 m -81.24 141.25 34.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.102 173.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 128' ' ' LEU . 3.1 p -77.0 -3.49 39.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -86.88 7.15 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 m -69.66 150.78 46.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.278 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 60.61 22.41 12.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.497 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.4 47.69 61.82 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.574 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 5.4 mmp_? -103.9 131.14 51.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 110.819 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 m -83.0 175.38 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.686 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.64 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 5.0 p -80.24 55.67 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -133.23 148.59 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.063 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.42 101.03 9.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.487 ' HE1' HD23 ' A' ' 92' ' ' LEU . 39.8 p90 -75.58 146.95 40.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.973 0.416 . . . . 0.0 110.774 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.08 17.61 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -168.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -128.83 80.5 72.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.563 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.4 Cg_endo -85.82 -5.77 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.112 2.542 . . . . 0.0 110.499 169.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -18.27 65.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.459 -174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -74.27 -5.42 41.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.128 -0.357 . . . . 0.0 110.808 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.93 7.01 19.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.48 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m -56.36 -38.29 71.2 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.759 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.611 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 62.5 tttp -65.14 -35.71 81.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.898 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.41 -50.19 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -59.87 -39.34 84.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.398 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -63.06 -46.1 89.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.366 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 13.6 mmm180 -76.05 -15.16 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.451 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.77 6.29 42.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.479 . . . . 0.0 110.024 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 61.5 38.51 15.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.995 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.8 m -111.28 174.25 5.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.82 -128.03 2.38 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.067 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.03 151.91 73.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.646 0.378 . . . . 0.0 111.299 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 58.1 Cg_endo -80.1 102.31 1.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.666 2.244 . . . . 0.0 111.129 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -35.59 62.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.229 -174.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 m -152.76 151.54 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.903 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 51.3 tp -155.28 131.79 10.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.855 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.468 ' HA2' ' CH2' ' A' ' 71' ' ' TRP . . . 157.12 -156.05 26.9 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 17.3 Cg_exo -67.38 124.62 12.29 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.624 2.216 . . . . 0.0 111.981 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' A' ' 127' ' ' SER . 50.3 t80 -138.11 120.45 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.172 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.1 mt 69.64 120.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.911 0.862 . . . . 0.0 112.143 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -87.76 57.87 4.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.823 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.69 -34.52 74.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 70.14 -12.63 0.48 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.75 0.82 . . . . 0.0 113.072 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -51.75 101.79 0.28 Allowed Pre-proline 0 N--CA 1.467 0.399 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -93.51 21.94 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.224 2.616 . . . . 0.0 112.625 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -104.54 -10.43 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.39 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -126.26 -17.59 5.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.728 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.506 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 79.6 p -92.98 146.28 23.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.371 0.605 . . . . 0.0 112.218 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.1 pt -123.27 144.53 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.463 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.11 124.94 70.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -110.2 151.81 26.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.043 0.449 . . . . 0.0 110.858 -173.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -123.08 168.19 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.925 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.55 -125.54 6.54 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.85 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -125.56 149.23 48.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.58 112.03 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.787 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.72 -12.36 27.55 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.684 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -108.63 122.91 48.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.51 43.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.217 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.1 m -67.8 -53.58 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.952 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.29 80.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 111.032 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 30.7 m -103.66 127.17 51.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.034 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -111.4 147.6 34.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -68.83 123.25 20.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -66.55 121.55 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.758 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -117.16 36.37 4.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -126.34 139.79 53.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.41 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -87.88 22.17 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.688 0.28 . . . . 0.0 111.448 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.1 mtp -132.39 29.12 4.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.598 0.237 . . . . 0.0 111.209 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 110.5 17.8 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.01 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.58 132.68 34.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.776 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 11.1 m -69.16 151.58 46.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.608 HD21 HD11 ' A' ' 92' ' ' LEU . 8.7 tt -96.31 120.56 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -109.18 139.24 15.19 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.334 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 62.6 tp -123.3 121.56 36.14 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.1 m -103.81 104.92 14.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.249 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 16.2 m -99.17 138.25 36.53 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.97 116.94 10.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 3.3 mp0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.262 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -127.52 148.22 50.33 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.04 7.61 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.448 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 54.7 m-85 -96.48 -10.4 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.78 136.85 96.94 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.495 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.86 -18.14 46.97 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.14 2.56 . . . . 0.0 113.185 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -113.54 20.9 15.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -79.26 96.81 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 54.2 mt-30 -76.26 120.73 21.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.755 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.95 154.94 47.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.929 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -145.54 153.5 41.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' H ' HD21 ' A' ' 84' ' ' LEU . 94.7 mt -108.03 134.01 51.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 p -65.07 164.4 13.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.424 0.63 . . . . 0.0 112.626 -173.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -77.59 47.47 0.6 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.345 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -77.51 -64.75 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -117.29 -64.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.557 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 41.8 m -147.33 174.81 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -77.08 7.03 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.999 0.428 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.5 -7.41 15.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.485 HE21 ' HB3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -155.78 119.27 4.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 111.429 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.66 -159.87 29.81 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.343 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' HG3' HD22 ' A' ' 96' ' ' LEU . 93.9 mt-30 -74.61 131.4 40.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.988 0.394 . . . . 0.0 110.025 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -82.81 105.89 14.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.89 128.39 54.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.93 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.23 146.28 14.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.314 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.582 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 46.5 t80 -95.89 91.12 5.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.065 0.46 . . . . 0.0 110.247 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -90.96 -172.79 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -66.89 -26.99 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.104 0.478 . . . . 0.0 110.025 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.686 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.24 -170.14 19.32 Favored Glycine 0 C--O 1.237 0.283 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.149 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.15 132.38 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -143.37 137.9 29.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.222 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.3 mtp -76.03 124.86 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.17 126.92 39.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.26 134.4 34.13 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.488 ' HA ' HD13 ' A' ' 128' ' ' LEU . 18.4 m -48.74 -54.94 12.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 5.4 pm0 -81.07 56.7 2.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.736 0.779 . . . . 0.0 111.674 -174.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -102.2 159.31 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.123 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 60.84 -84.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.531 0.732 . . . . 0.0 111.689 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.57 31.25 0.93 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.314 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 32.7 mmt-85 -98.93 134.85 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.125 0.488 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -112.88 -177.21 3.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.381 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -82.81 58.99 4.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 151.34 10.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -71.71 126.11 28.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.499 ' HD1' ' H ' ' A' ' 73' ' ' ASP . 26.3 t-105 -85.28 158.45 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.455 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 35.9 mt-10 -60.15 -37.75 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' H ' ' HD1' ' A' ' 71' ' ' TRP . 15.3 t70 -113.88 97.86 45.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 111.674 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 72' ' ' GLU . 55.3 Cg_endo -100.94 9.05 0.57 Allowed 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.759 2.973 . . . . 0.0 112.14 172.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 5.6 m -76.75 -3.84 40.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.898 -173.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -69.19 -16.2 63.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.438 . . . . 0.0 110.844 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.22 15.88 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -58.55 -40.68 83.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.567 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 22.1 tptm -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.738 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.94 -46.33 85.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.35 . . . . 0.0 110.131 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.2 m -57.54 -38.3 74.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.231 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -68.23 -36.54 79.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.9 mmm180 -61.47 -30.09 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.707 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD21 ' H ' ' A' ' 37' ' ' LEU . 8.0 mp -102.04 9.49 40.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.826 0.346 . . . . 0.0 111.32 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 57.4 45.36 20.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.018 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -112.48 -178.43 3.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.018 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.29 -164.86 36.94 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.608 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.24 149.82 90.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 60.2 Cg_endo -78.7 120.61 4.79 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.699 2.266 . . . . 0.0 112.437 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.28 -52.66 6.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 p -139.94 154.81 47.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 130' ' ' LEU . 51.8 tp -144.32 94.58 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.12 -158.66 9.48 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.791 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.67 79.48 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 123.292 2.661 . . . . 0.0 111.8 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.601 ' HB3' HD12 ' A' ' 96' ' ' LEU . 21.5 t80 -77.37 -49.8 14.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.841 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.8 mp -106.44 144.27 33.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.26 0.552 . . . . 0.0 110.949 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.529 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.5 mttm -118.58 67.11 0.77 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.893 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -91.77 -28.88 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.995 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 91.4 m-85 61.58 20.09 10.96 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.1 m -72.39 108.6 4.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.21 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 95.5 Cg_endo -92.29 58.53 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.207 2.605 . . . . 0.0 111.997 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.94 -53.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.111 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -90.97 -0.53 57.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.3 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.7 p -101.08 151.34 21.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.525 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.0 pt -133.35 152.28 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.033 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.19 125.24 73.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -110.09 146.51 35.28 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.997 -174.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -109.32 162.32 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.984 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.47 -106.3 0.98 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.145 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.48 153.33 41.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.39 108.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.69 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.66 -2.29 32.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.27 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.7 t -104.78 95.83 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.225 0.536 . . . . 0.0 110.404 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.27 62.23 5.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 t -99.01 -64.31 1.05 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.711 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -108.49 88.67 2.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.177 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.0 m -108.07 138.18 44.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.759 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 p -117.84 158.17 25.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.124 0.488 . . . . 0.0 111.025 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -66.17 127.19 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.036 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 t -70.14 110.85 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.608 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -94.27 4.06 54.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.502 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -106.77 133.93 50.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.05 0.452 . . . . 0.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.0 12.2 22.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.694 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -102.06 18.8 19.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 48.8 t -66.01 115.06 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.052 -176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -87.4 135.22 33.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.126 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 12.8 m -79.28 118.24 21.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 61' ' ' SER . 33.0 tp -64.32 120.56 12.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -114.77 124.25 6.31 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.51 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 92' ' ' LEU . 55.9 tp -103.29 117.43 34.49 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.2 m -98.41 86.84 3.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.5 m -85.49 147.72 26.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -58.98 128.46 37.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.7 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' HE3' ' A' ' 53' ' ' LYS . 74.6 mt . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.7 t -153.99 150.51 28.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.36 29.69 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 111.28 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 27' ' ' SER . 42.7 m-85 -122.93 3.37 9.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.918 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.2 m-20 -108.23 147.93 36.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.354 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 8.0 Cg_exo -73.2 -8.94 22.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.491 2.794 . . . . 0.0 113.165 -175.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -108.21 19.7 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.678 0.275 . . . . 0.0 110.978 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -96.1 118.06 31.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -109.18 134.64 51.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.61 162.83 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.47 166.84 30.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.75 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 43' ' ' LYS . 97.6 mt -107.32 147.73 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 172.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.4 p -76.92 163.18 26.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 110.773 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 ptm180 -84.51 78.25 9.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.489 0.661 . . . . 0.0 111.568 -170.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -83.15 -53.25 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.139 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -157.62 -59.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.122 0.487 . . . . 0.0 110.221 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -124.88 150.08 46.86 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.99 -5.68 36.67 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -170.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.99 -4.22 56.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.362 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -145.68 115.34 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.186 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.32 -163.06 29.13 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.286 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 57.0 mt-30 -91.56 139.04 31.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.85 122.48 24.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.22 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -123.53 126.45 46.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 155.37 23.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.147 0.499 . . . . 0.0 111.856 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -85.51 108.85 18.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.757 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 105' ' ' ILE . 94.8 mt -87.14 -167.81 2.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.6 tppp? -67.78 -21.02 65.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 110.591 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.462 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.67 18.38 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.875 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.64 125.24 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.725 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -138.85 145.57 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.68 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.07 139.54 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.265 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.49 130.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 0.0 110.279 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 t -89.94 136.8 32.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -72.28 -2.48 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.73 39.3 1.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.221 1.01 . . . . 0.0 109.144 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.2 m -107.28 150.13 27.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.343 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.5 26.65 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.669 0.606 . . . . 0.0 111.719 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.17 66.11 2.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.361 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.504 HH21 HD22 ' A' ' 111' ' ' LEU . 45.1 mmt-85 -130.19 129.7 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 110.902 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -70.71 162.2 29.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.672 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -77.78 49.49 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.929 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -147.16 146.15 29.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.431 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.77 120.45 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.244 0.34 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.455 ' CZ3' ' HB3' ' A' ' 66' ' ' ARG . 12.7 p90 -92.48 -176.24 4.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.194 0.521 . . . . 0.0 111.591 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -82.92 -29.53 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -160.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -125.78 95.33 40.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.664 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -94.38 -4.32 2.53 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.974 2.45 . . . . 0.0 112.718 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 19.1 m -72.56 -4.51 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -62.84 -19.16 63.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.233 0.54 . . . . 0.0 110.859 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.15 12.22 36.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.003 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 m -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.3 mtmp? -63.45 -35.03 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.34 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.22 -49.38 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.5 m -55.62 -42.87 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.409 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -60.78 -39.5 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.232 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 16.8 mmm180 -68.16 -19.49 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.273 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.52 9.69 42.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.624 0.25 . . . . 0.0 110.935 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 m120 63.22 41.06 8.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.349 0.595 . . . . 0.0 110.981 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -118.7 167.97 11.16 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.529 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.85 -152.04 27.92 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.939 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 5.5 m-20 -56.13 146.32 51.33 Favored Pre-proline 0 N--CA 1.465 0.296 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.9 Cg_exo -75.79 114.45 3.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.208 2.606 . . . . 0.0 111.7 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD11 HD12 ' A' ' 133' ' ' LEU . 89.9 mt -82.11 -37.66 25.98 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.669 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.3 m -151.14 147.7 27.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 130' ' ' LEU . 8.3 tt -151.32 110.85 3.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.48 -148.94 9.04 Favored Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.77 119.18 5.58 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.124 1.883 . . . . 0.0 111.907 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.614 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 41.2 t80 -145.09 119.5 9.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.77 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tt 57.91 90.98 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.011 0.819 . . . . 0.0 110.911 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.701 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 9.8 mtmp? -78.83 88.47 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -71.06 -13.81 62.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.008 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.496 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 69.8 t80 59.3 73.65 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.151 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 p -124.62 64.82 41.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.145 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.66 ' HB2' ' HD2' ' A' ' 121' ' ' ARG . 6.1 Cg_exo -74.25 2.64 5.96 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.942 2.428 . . . . 0.0 111.761 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -103.76 12.5 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.502 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.2 m -146.73 -22.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.2 p -87.07 149.58 24.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.076 0.465 . . . . 0.0 111.623 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.961 HD13 HD11 ' A' ' 52' ' ' LEU . 35.0 pt -130.28 146.31 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.867 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.06 117.14 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -96.33 152.83 18.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.983 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.42 161.2 20.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.87 -158.21 14.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.339 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -82.34 144.33 30.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.691 0.281 . . . . 0.0 110.518 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.504 HD22 HH21 ' A' ' 66' ' ' ARG . 61.4 tp -51.26 100.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.554 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 132.67 -26.05 3.69 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.359 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -84.6 109.02 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.185 0.517 . . . . 0.0 110.982 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -93.64 41.62 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.555 0.693 . . . . 0.0 109.337 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 p -79.85 -48.33 13.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.714 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -123.87 112.12 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 55.9 m -130.77 142.95 50.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.358 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 t -122.34 136.93 54.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -77.7 119.38 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.04 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.7 m -108.51 116.89 32.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 0.0 111.432 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 101' ' ' PRO . 9.4 mmm180 -103.1 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -163.41 157.85 20.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -79.6 22.24 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.094 0.473 . . . . 0.0 111.974 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.2 mtt -91.95 -4.27 54.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.541 0.686 . . . . 0.0 109.441 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.0 t -88.82 136.23 33.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.736 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.701 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 55.5 m80 -118.13 131.46 56.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.5 m -64.09 129.51 40.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.676 0.274 . . . . 0.0 110.632 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 47' ' ' GLN . 7.5 tt -83.74 113.15 20.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -98.45 126.0 8.74 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.778 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 92' ' ' LEU . 52.3 tp -108.42 118.59 37.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.0 m -108.33 96.23 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 34.9 m -92.53 152.32 19.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.55 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 90' ' ' LEU . 10.7 tp -68.8 140.23 55.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.713 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD22 ' A' ' 52' ' ' LEU . 96.4 mt . . . . . 0 C--O 1.224 -0.282 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -113.09 151.19 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 10.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.948 -175.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -94.45 -18.09 21.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 109.947 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.51 131.83 89.73 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.43 -19.15 38.08 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.636 2.224 . . . . 0.0 112.514 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.06 -0.86 49.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.829 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -76.45 106.42 8.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 78.2 mt-30 -86.47 134.65 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.04 146.22 26.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.572 ' NH1' HH22 ' A' ' 39' ' ' ARG . 10.2 ptp180 -141.02 158.45 43.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.553 . . . . 0.0 111.054 -177.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.35 134.15 46.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 55.7 p -50.59 142.12 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.596 0.56 . . . . 0.0 111.63 -178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -69.63 63.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.884 176.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -86.93 -78.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.054 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -101.88 -52.15 3.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.0 110.295 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.543 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.7 t -151.1 172.0 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.646 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -65.07 -23.79 67.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 123.291 0.369 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 134' ' ' GLU . 73.3 m -93.31 -1.46 55.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -172.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.543 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -154.98 130.24 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.746 176.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.41 -161.09 33.43 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.45 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.4 tm0? -82.81 144.52 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.81 113.08 23.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 111.977 -173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -108.84 127.56 54.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.356 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.27 149.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 75.2 t80 -99.09 101.33 12.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.926 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 26' ' ' LEU . 82.1 mt -100.28 -158.8 0.7 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.406 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -69.78 -32.48 70.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 111.244 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -83.59 -16.17 46.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.67 -141.46 13.61 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.264 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.4 m95 -82.52 128.69 34.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 111.154 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -136.57 133.41 36.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.43 178.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HE1' ' HB ' ' A' ' 98' ' ' THR . 60.4 mtp -73.8 137.37 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.6 t -96.37 138.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.8 m -99.71 151.75 20.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HA ' HD13 ' A' ' 128' ' ' LEU . 6.7 m -73.45 -6.29 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.746 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -87.56 22.51 2.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 109.351 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -102.64 151.64 22.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.763 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 55.4 32.56 19.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.164 0.585 . . . . 0.0 112.056 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.78 30.42 72.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.174 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -97.59 164.86 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.966 0.383 . . . . 0.0 109.968 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.5 m -147.34 -163.33 1.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -61.13 -34.37 74.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.441 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 51.7 tptt -123.41 86.57 2.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.064 0.459 . . . . 0.0 110.971 -178.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 69' ' ' LYS . 28.6 mt-30 -153.62 84.11 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.115 172.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.404 ' CZ3' ' HB3' ' A' ' 91' ' ' SER . 78.4 m95 -118.89 69.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.476 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.725 ' HG3' ' H ' ' A' ' 73' ' ' ASP . 7.9 pt-20 -105.64 -77.55 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.649 -0.42 . . . . 0.0 112.112 -175.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.725 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 13.2 t70 -117.93 98.17 51.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 122.31 -0.244 . . . . 0.0 110.978 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -98.54 -2.75 1.02 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.413 2.742 . . . . 0.0 112.834 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -66.64 -17.7 64.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.254 -171.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -62.87 -24.51 67.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.759 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 19.54 6.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.545 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.508 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.2 p -57.49 -35.51 70.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.69 -33.6 73.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.34 -54.26 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.18 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.4 m -62.21 -39.29 92.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.501 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -58.81 -48.73 80.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -71.69 -20.8 61.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.68 0.276 . . . . 0.0 111.437 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.91 4.91 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.26 48.36 6.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.623 0.725 . . . . 0.0 110.773 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 71.1 m -133.52 163.38 29.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.572 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 132' ' ' CYS . . . -73.86 177.12 45.23 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.298 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 146.52 75.02 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.417 0.627 . . . . 0.0 112.67 -172.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HB3' HD21 ' A' ' 130' ' ' LEU . 29.6 Cg_endo -63.87 103.72 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 113.008 -175.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HG ' ' A' ' 133' ' ' LEU . 88.6 mt -67.84 -40.99 83.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.908 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 71' ' ' TRP . 23.5 m -146.43 150.0 34.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -150.93 115.31 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.66 -154.85 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.619 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.67 73.25 3.56 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.497 2.131 . . . . 0.0 112.391 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 42.9 t80 -71.38 -44.94 64.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.786 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.577 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 96.2 mt -132.02 178.38 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.67 87.93 1.96 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.281 0.562 . . . . 0.0 109.971 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.482 ' HB ' ' HE1' ' A' ' 58' ' ' MET . 20.6 m -86.34 111.97 20.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.18 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.25 69.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.4 m -130.62 76.23 77.7 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.034 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.39 60.55 7.08 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.365 2.71 . . . . 0.0 112.563 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -152.87 -35.31 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.1 m -109.14 24.31 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' MET . 27.0 m -118.56 152.48 35.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.322 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 57' ' ' HIS . 34.6 pt -129.95 156.84 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.338 0.589 . . . . 0.0 111.806 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -123.98 125.96 71.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.9 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.47 154.52 31.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.731 0.3 . . . . 0.0 110.215 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -143.62 152.08 40.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.63 -113.58 1.37 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -111.18 131.69 54.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.739 0.304 . . . . 0.0 110.218 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.7 tp -52.02 110.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.968 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.88 -19.58 7.37 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.405 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -101.05 122.76 44.12 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.979 0.419 . . . . 0.0 110.346 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.403 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 90.4 m-85 -106.8 24.84 12.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.205 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.9 m -78.0 -13.93 59.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.577 -173.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -147.43 75.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.238 0.542 . . . . 0.0 110.047 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 15.3 m -115.39 154.44 29.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.559 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.5 m -111.17 159.45 17.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.72 136.57 33.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.941 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -108.49 118.48 36.88 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.618 0.723 . . . . 0.0 111.816 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 32.27 6.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.84 171.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -97.05 131.34 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.72 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.89 -23.3 65.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.204 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -94.8 29.06 2.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.458 . . . . 0.0 110.618 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 89.64 6.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -61.0 129.2 40.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 m -80.6 129.82 34.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.007 0.432 . . . . 0.0 111.233 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' SER . 17.9 tp -79.59 132.63 36.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.37 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -129.92 153.02 19.85 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.824 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.2 tt -130.5 135.11 47.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.54 ' N ' HD23 ' A' ' 130' ' ' LEU . 25.6 m -112.5 98.86 7.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.844 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.58 ' SG ' HD22 ' A' ' 130' ' ' LEU . 10.2 m -94.1 153.73 17.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.36 133.38 46.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 177.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 2.9 mp0 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.827 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.9 m -159.99 146.84 16.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -78.36 12.12 2.09 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.219 -177.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CE2' ' HA3' ' A' ' 112' ' ' GLY . 69.6 m-85 -100.05 -3.67 31.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.435 172.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 73.1 m-20 -97.2 127.13 39.51 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.799 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 33.1 Cg_exo -59.72 -22.12 66.17 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.401 2.734 . . . . 0.0 113.845 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.52 -0.08 57.25 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.475 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -71.94 131.44 42.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.723 0.297 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -112.17 132.41 54.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.94 163.74 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.339 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -144.15 162.7 35.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -118.85 135.89 54.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -56.38 146.26 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.372 0.42 . . . . 0.0 111.036 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -72.01 78.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -96.1 -152.6 0.38 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.747 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.34 -58.89 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.294 . . . . 0.0 111.344 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.915 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 17.3 m -89.02 143.05 27.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 134' ' ' GLU . 9.9 ptpp? -70.23 -15.85 62.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.29 -172.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 3.7 t -126.28 43.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 109.48 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.915 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 0.6 OUTLIER -147.93 130.94 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.717 178.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.55 -157.12 28.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.499 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -73.68 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -85.75 109.12 18.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.947 0.404 . . . . 0.0 110.539 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -110.61 121.12 44.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.38 155.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.945 0.402 . . . . 0.0 111.041 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -84.82 97.55 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.801 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 14.7 tp -100.33 -171.47 2.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.364 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.801 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 13.4 tmtt? -54.96 -45.67 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -89.87 24.46 2.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.67 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.54 -163.17 32.31 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.551 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.6 m95 -61.88 122.65 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.287 -176.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -140.28 149.1 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.71 ' HE3' HG21 ' A' ' 98' ' ' THR . 31.9 mtp -83.54 133.5 34.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.763 -176.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.72 129.91 36.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.797 0.332 . . . . 0.0 110.42 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -95.77 156.26 16.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 p -81.67 9.85 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -108.93 44.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.898 0.856 . . . . 0.0 108.731 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -113.08 147.63 36.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.534 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 58.8 21.63 9.22 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.336 0.655 . . . . 0.0 112.135 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.22 29.28 68.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.191 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -116.52 82.13 1.74 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -99.24 44.46 1.02 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.711 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -103.13 159.22 15.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 67.2 mttm -94.16 -14.81 25.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -172.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -168.02 143.07 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -125.77 157.79 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.73 35.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 109.208 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.6 77.53 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.282 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -84.88 -2.82 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.756 2.304 . . . . 0.0 111.676 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.733 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 16.7 m -87.23 16.48 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.986 -174.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -70.45 -17.95 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 0.0 110.21 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.12 36.49 3.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.245 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 50.3 m -56.93 -37.26 71.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.878 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.94 -22.28 65.95 Favored 'General case' 0 C--N 1.334 -0.109 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.25 -51.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -61.59 -35.98 79.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.777 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.4 mm-40 -64.24 -40.69 96.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.017 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -63.48 -28.79 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.442 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.11 -1.41 57.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.76 0.314 . . . . 0.0 110.993 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER 65.71 41.18 4.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.334 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.23 -178.05 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.65 -155.03 9.51 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.35 176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.67 157.25 87.78 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.891 0.346 . . . . 0.0 111.063 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.733 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.4 Cg_exo -73.94 113.83 3.88 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.833 2.356 . . . . 0.0 112.081 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.44 -42.53 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.285 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -147.84 151.71 36.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -152.39 126.13 8.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.17 -175.75 42.24 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.222 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.662 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 26.9 Cg_exo -61.89 103.34 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.887 2.392 . . . . 0.0 111.692 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.482 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.4 t80 -99.29 -68.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.913 -171.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.2 tp -113.64 151.68 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 111.505 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 138.3 37.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.528 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.71 HG21 ' HE3' ' A' ' 58' ' ' MET . 14.4 t -144.28 151.3 39.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -109.38 58.34 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.502 0.668 . . . . 0.0 110.904 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.5 m -143.73 79.74 13.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.739 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.19 57.69 6.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.366 2.711 . . . . 0.0 112.277 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.731 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -144.33 -41.07 0.26 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.258 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.4 p -78.18 -10.74 59.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.542 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' MET . 11.5 p -89.91 143.31 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.881 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.94 154.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.384 0.612 . . . . 0.0 111.959 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 mt -118.72 130.82 73.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.715 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.9 OUTLIER -118.93 153.15 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.684 -0.407 . . . . 0.0 109.948 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.2 168.48 19.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.35 -102.47 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.485 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.892 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -124.66 137.04 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -52.29 116.08 2.06 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.674 0.608 . . . . 0.0 111.548 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 108.33 -13.52 36.55 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.537 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -98.95 132.06 44.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.193 0.521 . . . . 0.0 110.762 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.571 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 94.7 m-85 -114.15 39.45 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.031 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -60.4 -44.01 96.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.175 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -150.44 94.28 2.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.006 0.432 . . . . 0.0 110.224 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.3 m -108.52 148.76 29.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 t -124.43 175.46 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -62.29 139.4 58.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.677 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -81.21 62.99 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.914 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 121' ' ' ARG . 0.8 OUTLIER -79.65 91.47 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -144.72 166.61 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.019 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -59.45 -41.12 88.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.613 0.642 . . . . 0.0 111.025 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.38 166.32 18.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.7 t -158.54 97.71 1.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.459 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -87.94 128.39 35.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -70.24 132.5 45.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.45 125.74 27.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.468 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -114.44 144.83 18.45 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.707 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.6 tt -129.26 142.4 50.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.601 ' N ' HD23 ' A' ' 130' ' ' LEU . 87.3 m -119.79 109.17 15.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.651 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 52.1 m -101.31 154.33 18.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.59 90.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.556 0.217 . . . . 0.0 111.544 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.559 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 10.8 tp10 . . . . . 0 C--O 1.251 1.161 0 O-C-N 124.078 0.861 . . . . 0.0 109.347 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HG ' ' A' ' 115' ' ' SER . 87.2 mt . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.103 0.478 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.2 t -143.68 152.81 41.79 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.02 32.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.123 0.487 . . . . 0.0 111.86 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' A' ' 27' ' ' SER . 62.9 m-85 -125.28 3.41 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.954 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 42.2 m-20 -109.62 138.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 23.3 Cg_exo -65.38 -21.1 61.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.26 2.64 . . . . 0.0 112.673 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.53 -7.1 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -83.62 81.38 8.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.339 0.59 . . . . 0.0 109.529 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -76.6 129.23 36.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.06 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -140.5 158.08 44.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -149.82 153.73 37.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.274 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.1 mt -107.03 124.95 50.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.497 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.575 ' HA ' HH11 ' A' ' 39' ' ' ARG . 43.5 p -65.74 148.27 52.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.575 HH11 ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -75.62 60.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.159 0.504 . . . . 0.0 110.723 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -69.35 -42.36 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.67 -48.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.654 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -143.82 174.16 11.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.16 -8.05 56.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.498 -174.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 13.2 t -127.99 31.03 5.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 0.0 109.105 173.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -154.68 98.99 2.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.05 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.86 -151.48 11.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.983 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.26 142.38 39.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.47 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.54 126.52 52.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.003 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -117.45 151.2 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.614 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -82.9 101.27 10.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.702 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.16 -173.49 3.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.121 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -79.23 56.08 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 0.0 110.305 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -172.6 -40.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.737 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.52 -141.97 7.51 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.0 m95 -92.68 121.12 33.77 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.097 0.448 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.421 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -125.31 139.96 53.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.779 -178.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.8 mtp -80.25 131.34 35.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.503 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.88 123.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -95.68 140.35 30.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -66.68 -10.38 45.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.812 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -84.18 44.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 109.707 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -123.08 155.84 36.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.08 19.64 8.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.031 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.55 21.09 77.85 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.703 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -89.16 147.07 24.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.189 0.519 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -87.86 173.05 9.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.3 t -79.24 54.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.206 0.527 . . . . 0.0 110.649 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -147.2 167.53 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -90.51 128.77 36.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -95.17 170.1 9.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.582 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -84.7 48.97 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -167.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.558 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 10.1 t70 -170.3 90.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 171.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.05 -11.27 8.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.593 2.195 . . . . 0.0 110.972 170.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 m -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.925 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.558 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 15.2 mm100 -56.42 -24.23 43.68 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.87 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.75 7.23 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.0 p -59.76 -34.92 73.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.65 -39.12 93.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.675 178.549 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.02 -50.41 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.092 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.5 m -56.14 -39.6 72.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.666 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.42 -42.58 96.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.592 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -68.01 -25.38 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.06 7.51 37.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.672 0.272 . . . . 0.0 110.908 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.9 28.25 12.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.696 0.76 . . . . 0.0 110.561 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.46 172.19 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.977 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -138.4 4.59 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.812 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.95 155.76 90.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.408 . . . . 0.0 111.008 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.5 115.79 4.46 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.032 2.488 . . . . 0.0 111.701 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.2 -48.7 32.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.407 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.7 p -154.14 143.44 21.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.676 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 130' ' ' LEU . 7.9 tt -141.66 145.27 34.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.98 -158.66 28.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.417 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.49 117.67 5.21 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.324 2.016 . . . . 0.0 111.366 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 65.0 t80 -137.97 123.32 19.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.8 tp 73.85 125.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.176 0.923 . . . . 0.0 111.398 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 48.8 mtmt -91.14 73.32 6.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.717 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.54 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.997 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 55.9 m-85 49.33 62.19 2.75 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.939 0.399 . . . . 0.0 111.106 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 m -121.95 89.78 48.37 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.784 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.59 50.69 3.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.141 2.561 . . . . 0.0 112.647 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 48.3 mt-30 -144.75 -62.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.151 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.9 m -81.72 -5.06 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.776 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -102.89 151.34 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.564 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 57' ' ' HIS . 21.3 pt -124.06 151.09 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 111.092 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.9 mt -113.83 118.85 59.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.194 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 82.6 m -97.42 138.94 34.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.712 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -114.49 133.11 56.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.02 -148.7 16.83 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.452 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.31 136.03 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.985 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.84 121.42 11.1 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.448 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -18.17 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.923 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -96.6 116.64 29.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.15 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -107.12 12.91 27.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.241 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 30.3 m -80.07 3.27 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.186 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -149.11 81.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 40.7 m -127.08 150.16 49.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.458 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 m -125.44 157.87 35.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 64.7 t60 -56.77 130.57 46.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.232 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -73.28 101.41 3.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.034 0.445 . . . . 0.0 109.9 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 6.2 tpm_? -93.23 27.11 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.523 0.678 . . . . 0.0 109.78 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -134.13 117.44 16.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.268 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.75 -41.37 92.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.787 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.1 ptp -82.65 56.77 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.382 0.611 . . . . 0.0 111.597 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -119.13 143.0 47.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.691 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -100.47 138.57 37.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.6 m -79.98 146.48 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tt -84.28 120.45 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.102 0.477 . . . . 0.0 109.902 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.702 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.83 146.42 16.07 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 92' ' ' LEU . 63.3 tp -134.49 130.36 36.56 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.2 m -115.23 113.4 23.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.866 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 59.2 m -101.4 148.29 25.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.7 mt -69.42 94.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.059 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.622 ' N ' ' HG ' ' A' ' 115' ' ' SER . 95.6 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -133.49 160.04 38.62 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 20.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 111.578 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -111.19 -11.4 14.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.828 172.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -86.43 140.79 34.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.0 -10.8 25.0 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.939 2.426 . . . . 0.0 112.118 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.17 5.17 52.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.797 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -101.96 137.12 40.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.526 ' N ' HE21 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -128.29 139.69 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.18 156.22 41.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.769 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -143.52 153.05 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.548 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.76 125.99 47.27 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.8 p -66.1 161.7 21.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.252 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.13 -67.77 0.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.346 0.404 . . . . 0.0 110.735 -174.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t 54.64 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.483 0.489 . . . . 0.0 111.473 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -115.57 -39.15 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -162.89 160.57 25.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.674 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.48 -2.35 13.68 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.682 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 48.9 t -121.22 14.58 11.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.736 0.779 . . . . 0.0 109.642 176.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -156.08 89.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.815 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.82 -163.83 20.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.386 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.529 HE21 ' HB3' ' A' ' 95' ' ' PHE . 2.4 mp0 -74.5 146.37 42.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.51 108.01 18.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.035 0.445 . . . . 0.0 110.336 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.02 127.82 56.0 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.56 154.01 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.262 0.553 . . . . 0.0 112.193 -171.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 15.6 t80 -109.42 110.49 21.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -93.01 -67.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.119 0.485 . . . . 0.0 110.13 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -162.55 -38.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -64.5 -45.65 86.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.023 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 162.55 -140.37 6.5 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -102.35 124.97 48.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.941 0.401 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -138.13 147.52 44.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.3 mtp -86.46 144.84 27.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.808 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 140.2 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.67 0.271 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 11.3 m -96.09 154.68 17.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.749 177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.597 ' HA ' HD12 ' A' ' 128' ' ' LEU . 16.4 m -83.86 41.31 0.79 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -139.1 32.46 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . 57.7 m -98.72 146.28 26.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.367 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 60.79 25.69 15.55 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.683 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.82 18.91 79.15 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.322 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -95.89 127.18 41.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.939 0.399 . . . . 0.0 110.274 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 165.99 12.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.337 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 24.8 t -77.88 52.39 1.04 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 110.697 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.2 162.09 29.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -84.3 104.34 14.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.535 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 17.6 p90 -74.17 162.77 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.793 0.806 . . . . 0.0 112.101 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.57 -25.78 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.314 -165.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -128.79 87.34 55.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.243 0.544 . . . . 0.0 111.94 -175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.902 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.0 Cg_exo -82.13 -3.66 11.65 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.249 2.633 . . . . 0.0 111.84 174.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.5 m -59.04 -26.16 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.415 -173.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -69.03 -5.67 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.429 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.3 17.72 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.996 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 p -54.9 -38.54 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.265 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -62.21 -30.62 71.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.37 -47.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.25 -39.77 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.806 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 82' ' ' GLN . 7.8 tt0 -65.68 -39.5 91.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -63.92 -28.7 70.01 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.808 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -91.66 8.23 37.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.17 48.03 8.73 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.782 0.801 . . . . 0.0 110.948 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.52 179.77 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.13 -148.12 15.09 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.982 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.83 152.65 96.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.994 0.426 . . . . 0.0 111.221 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 34.8 Cg_endo -71.3 121.32 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.566 2.177 . . . . 0.0 111.875 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.1 -49.9 11.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.832 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -155.4 149.91 26.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.911 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -136.86 120.66 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 128' ' ' LEU . . . -178.54 -141.1 4.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.94 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.21 150.26 20.03 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.475 2.116 . . . . 0.0 112.37 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.529 ' HB3' HE21 ' A' ' 47' ' ' GLN . 0.2 OUTLIER -139.89 125.13 18.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.303 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.8 mt 59.39 -176.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.519 0.676 . . . . 0.0 111.368 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -137.23 52.97 1.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.989 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 m -78.52 -29.91 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.181 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.494 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 59.7 m-85 52.13 27.05 4.26 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 m -82.08 105.74 5.11 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.604 0.24 . . . . 0.0 110.944 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 83.3 Cg_endo -82.36 -2.7 11.22 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.972 2.448 . . . . 0.0 113.207 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -90.4 -25.84 20.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -98.11 -15.76 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.929 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.466 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 16.9 p -106.56 158.33 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.771 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.45 157.16 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.887 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.37 123.75 67.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.879 176.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 94.8 m -96.48 150.59 20.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.469 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -124.02 167.16 14.55 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.08 -134.08 11.58 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.991 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.64 141.4 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 111.31 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.82 112.79 0.76 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.502 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.07 -15.42 23.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.6 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -94.3 22.04 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.593 0.711 . . . . 0.0 109.579 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.622 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 5.0 m -90.74 15.85 10.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.37 -177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -160.76 81.18 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.414 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 19.0 m -134.17 148.28 50.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.5 m -137.14 162.48 33.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -68.25 129.77 40.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -61.9 120.98 11.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.441 0.463 . . . . 0.0 111.721 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -84.54 -2.67 57.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.623 0.725 . . . . 0.0 109.398 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -97.67 113.19 24.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.03 31.26 0.55 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.369 0.604 . . . . 0.0 111.946 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.1 ptp -152.07 46.9 0.77 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.9 t -69.82 129.88 40.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.881 -173.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -78.47 118.67 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.684 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 p -68.75 134.83 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.8 tt -98.51 146.49 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.439 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -147.32 168.1 28.43 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.375 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 ' HG ' ' A' ' 92' ' ' LEU . 59.6 tp -132.95 134.93 45.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.4 m -112.41 112.52 24.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.055 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 39.5 m -103.34 152.97 20.94 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.3 101.8 0.19 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.474 178.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' A' ' 115' ' ' SER . 89.5 mt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 29' ' ' TYR . 3.7 p -115.81 153.74 30.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 33.72 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 27' ' ' SER . 72.2 m-85 -124.33 -14.98 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 36.9 m-20 -82.6 141.81 45.39 Favored Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 12.1 Cg_exo -71.48 -2.68 11.67 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.137 2.558 . . . . 0.0 112.112 176.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.28 -10.64 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.82 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -83.11 106.39 14.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.125 0.488 . . . . 0.0 110.563 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.8 mt-30 -98.41 130.5 45.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.972 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.32 155.46 42.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.962 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.481 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.1 ptp180 -146.8 161.19 41.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.025 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' CYS . 84.3 mt -107.86 132.64 53.23 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 p -65.23 158.71 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.729 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.15 -70.69 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.28 0.362 . . . . 0.0 110.037 -175.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 t 58.66 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.747 0.655 . . . . 0.0 111.49 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.83 -39.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 23.3 t -160.07 165.21 32.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.335 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.654 0.264 . . . . 0.0 111.436 -176.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 98.7 m -110.9 33.37 4.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.132 0.491 . . . . 0.0 110.148 177.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 59.8 tt0 -156.4 80.74 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.693 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.51 -161.07 16.1 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.47 140.11 32.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -82.07 113.1 19.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.281 0.562 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -116.21 127.25 54.61 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.66 149.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 111.968 -171.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.513 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 51.9 t80 -93.7 100.24 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.845 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.07 -163.84 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.646 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -55.17 -41.05 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.463 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -82.63 -26.04 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.766 0.317 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.07 -151.24 20.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.779 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -71.28 118.55 14.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 111.287 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -137.53 150.5 47.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.435 176.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -89.81 151.67 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.2 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.42 134.36 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 t -92.65 143.43 26.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.764 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.2 m -73.37 62.05 0.69 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.99 0.424 . . . . 0.0 111.594 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.52 51.85 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -119.69 154.13 34.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.109 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 60.84 -89.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.171 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.41 27.42 1.22 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -121.2 128.85 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -85.41 -169.73 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.462 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -78.65 51.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 0.0 110.87 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.667 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -123.36 165.31 17.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.105 179.027 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.0 89.93 6.25 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HH2' HD11 ' A' ' 128' ' ' LEU . 49.3 p90 -72.26 170.27 14.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -171.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -93.07 33.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.664 -170.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -149.2 61.39 5.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.106 0.479 . . . . 0.0 110.187 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -87.22 -16.21 3.36 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.538 2.158 . . . . 0.0 112.187 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.492 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 13.6 m -62.43 -17.14 58.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.689 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -58.87 -31.09 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.822 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.28 11.34 28.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.804 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 p -60.75 -29.92 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -70.37 -26.11 63.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.78 -46.81 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.03 -39.88 79.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.76 -43.69 94.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -66.74 -21.63 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.598 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.72 5.74 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 59.29 49.38 9.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.731 0.777 . . . . 0.0 111.236 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.1 m -127.95 168.05 15.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.303 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.27 -160.95 12.88 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.212 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.46 153.12 62.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.385 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 21.0 Cg_exo -64.72 116.14 3.63 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.933 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 tt -75.07 -48.28 24.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -148.16 148.29 30.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.565 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -142.56 115.06 8.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.18 -132.0 2.23 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.124 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -88.66 111.11 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.66 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.632 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 27.2 t80 -119.51 104.54 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.1 tp 69.27 166.48 0.27 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.83 0.706 . . . . 0.0 110.212 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -122.85 97.54 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.972 -0.455 . . . . 0.0 110.943 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 m -79.27 -33.32 43.56 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 48.14 52.35 13.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.739 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -111.25 97.29 34.8 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.2 54.55 2.77 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.456 2.771 . . . . 0.0 112.763 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 23.2 tt0 -157.98 -59.83 0.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.594 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.441 ' O ' ' HD2' ' A' ' 57' ' ' HIS . 5.2 p -84.08 -22.93 31.0 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.332 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -87.87 95.61 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.8 pt -98.85 167.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 0.0 111.855 -170.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -112.73 124.63 69.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.578 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 76.3 m -94.65 151.06 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -124.4 160.78 27.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.25 -156.27 15.67 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.47 145.08 41.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.48 109.35 0.48 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.939 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.62 -10.59 16.28 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.414 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -97.75 112.02 24.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.119 0.485 . . . . 0.0 110.129 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -102.33 20.5 16.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.976 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 25.3 m -76.92 1.77 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.674 -175.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -156.66 93.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 34.4 m -122.31 133.25 54.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.953 0.406 . . . . 0.0 109.979 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -119.16 168.06 11.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.084 0.469 . . . . 0.0 111.22 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 26.7 t60 -62.6 125.33 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.362 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.3 t -65.38 121.57 15.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.403 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 11.7 tpt180 -118.68 31.12 6.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.365 0.602 . . . . 0.0 109.83 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -103.72 140.24 37.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.246 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.24 -33.51 67.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.199 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.1 ptp -107.57 136.86 46.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.1 t -146.21 112.38 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -107.2 147.21 30.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.718 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -72.09 119.85 16.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.423 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.425 HD11 ' HH2' ' A' ' 71' ' ' TRP . 26.8 tp -68.1 116.31 8.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.632 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -115.81 150.34 18.66 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.759 -175.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.672 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.7 tp -132.27 123.06 26.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 90.7 m -109.54 112.3 24.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 60.0 m -96.18 146.11 24.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.2 116.44 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 111.311 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.993 175.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.848 0.356 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 29' ' ' TYR . 81.2 p -117.82 157.32 26.82 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.52 24.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 111.963 -177.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' SER . 58.7 m-85 -119.78 -2.69 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.047 172.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 58.6 m-20 -89.94 141.53 28.18 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.161 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 13.6 Cg_exo -69.59 -17.84 38.13 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.826 2.35 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.04 -7.69 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.12 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 80.4 t80 -80.76 118.95 22.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.0 0.428 . . . . 0.0 110.846 -176.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -114.08 133.55 55.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.108 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 163.31 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.906 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.5 ptp180 -142.23 149.2 39.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.007 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 130' ' ' LEU . 95.0 mt -98.89 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 168.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 26.1 p -55.28 138.36 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -74.32 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.639 0.733 . . . . 0.0 111.638 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 m -75.02 -52.52 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.088 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.33 -43.13 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.768 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -155.66 176.97 11.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.062 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -74.06 -19.12 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.85 0.357 . . . . 0.0 110.418 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.0 t -117.06 25.93 10.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 109.722 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -158.79 102.03 1.66 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.062 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.91 -158.83 29.85 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.535 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 33.4 mt-30 -79.28 132.33 36.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -76.37 124.77 28.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.143 0.496 . . . . 0.0 111.272 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -122.59 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.72 153.21 22.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.712 0.291 . . . . 0.0 111.347 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -94.64 98.86 11.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.736 HD11 HD13 ' A' ' 105' ' ' ILE . 81.1 mt -90.26 -172.81 3.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.954 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.65 -40.96 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 111.145 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.5 -10.5 58.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.417 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.27 -153.24 17.99 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.875 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -72.73 133.37 44.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 137.96 27.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.748 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.8 mtp -82.44 159.05 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.334 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG21 ' HE2' ' A' ' 114' ' ' PHE . 37.4 t -110.85 136.34 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.728 0.299 . . . . 0.0 110.407 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.2 t -95.94 141.64 29.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -76.94 45.15 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.855 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -136.91 33.73 2.64 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -105.22 159.48 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.564 -174.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 58.4 28.3 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.645 174.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.34 18.4 71.41 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.955 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -97.89 134.77 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -74.36 161.92 29.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.693 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.0 m -74.48 58.17 0.75 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.337 0.589 . . . . 0.0 111.752 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -137.39 151.26 48.36 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -63.15 98.55 0.14 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.144 0.277 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -66.21 132.21 47.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 23.0 mt-10 -89.97 52.43 2.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.491 0.663 . . . . 0.0 110.755 -168.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 13.0 m-20 -135.49 53.71 9.14 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.87 175.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 6.1 Cg_exo -74.91 -23.53 13.91 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.788 2.325 . . . . 0.0 112.537 -171.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.671 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 8.2 m -61.9 -17.34 56.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.061 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.56 -19.13 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.69 0.281 . . . . 0.0 111.264 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.47 17.68 21.0 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.283 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 p -55.96 -37.28 68.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.055 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -59.3 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.388 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.12 -52.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 31.3 m -57.34 -41.37 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.442 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.63 -40.82 96.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.478 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.756 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.5 mmp_? -81.74 -4.83 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.656 -0.418 . . . . 0.0 112.08 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.63 11.17 37.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.534 168.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.27 33.93 13.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.452 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.58 168.06 9.75 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.751 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.89 -134.06 3.39 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.68 153.07 83.33 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.69 0.281 . . . . 0.0 110.871 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.671 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 6.2 Cg_exo -75.51 132.41 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.96 2.44 . . . . 0.0 111.672 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.13 -52.49 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.132 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -142.29 147.43 36.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.3 tt -144.63 119.76 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 171.57 -137.38 4.31 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.078 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.07 121.12 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.702 2.268 . . . . 0.0 111.787 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 32.9 t80 -138.03 117.31 12.72 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.561 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 97' ' ' LYS . 6.0 tt 70.61 141.41 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.9 0.75 . . . . 0.0 110.275 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' N ' HD23 ' A' ' 96' ' ' LEU . 49.9 mtmt -117.55 87.1 2.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.953 -0.467 . . . . 0.0 111.496 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.7 t80 50.55 62.73 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.219 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -125.03 85.0 58.44 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.866 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.72 53.26 2.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.497 2.798 . . . . 0.0 112.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -143.73 -51.18 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.538 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.1 m -79.66 -7.07 58.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.2 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 p -106.99 143.0 35.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.736 HD13 HD11 ' A' ' 52' ' ' LEU . 30.8 pt -113.15 157.99 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.463 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -118.3 119.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -95.78 147.98 23.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -126.36 143.7 51.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 114.72 -143.09 17.95 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.24 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -70.82 128.86 37.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 111.606 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.95 111.9 0.84 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.862 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.64 21.44 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.614 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.3 t -92.35 122.52 34.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.039 0.447 . . . . 0.0 110.463 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.9 m-85 -106.53 22.71 15.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.393 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m -94.36 2.87 55.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.694 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -146.52 77.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.5 m -130.61 143.26 50.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.335 -177.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -119.88 160.56 22.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.152 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.55 136.31 55.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 t -57.48 97.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.534 0.521 . . . . 0.0 111.438 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 6.1 tpt180 -111.15 21.71 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 109.401 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -94.71 172.76 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.343 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.19 -59.84 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.339 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.9 ptp -118.12 160.14 22.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.5 t -146.47 149.3 33.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.149 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -132.01 140.44 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.402 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 13.4 m -71.59 125.45 27.12 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 123.225 0.328 . . . . 0.0 110.636 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.0 tp -73.14 119.08 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.248 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -110.9 138.17 14.78 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.761 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.723 HD13 ' HG ' ' A' ' 92' ' ' LEU . 64.1 tp -132.57 128.02 36.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.1 m -116.57 120.13 37.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.0 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -116.36 154.2 30.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.02 89.96 0.31 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.806 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.251 1.147 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 172.061 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 121.126 0.489 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 3.5 m -89.79 154.8 19.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.24 16.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.681 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.5 m-85 -107.0 -3.31 20.23 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.389 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -95.69 139.36 21.86 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.756 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -8.62 21.14 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.982 2.454 . . . . 0.0 111.868 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.79 -12.32 51.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.88 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.12 127.06 32.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.115 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -118.97 128.38 54.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.813 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.34 164.21 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.662 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -145.67 143.72 29.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.295 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.525 ' H ' HD21 ' A' ' 84' ' ' LEU . 91.0 mt -98.06 127.29 43.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.627 ' HB ' ' NH1' ' A' ' 39' ' ' ARG . 75.8 p -58.88 147.38 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.473 0.483 . . . . 0.0 111.463 -175.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.627 ' NH1' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.16 52.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.456 179.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -70.3 -70.09 0.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.218 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -119.72 -38.86 2.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.996 0.427 . . . . 0.0 111.055 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 45.7 t -136.89 156.54 48.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.239 -177.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -60.44 -21.91 62.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.116 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 92.9 m -131.6 40.69 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 110.177 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.92 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 44.0 tt0 -152.85 100.74 2.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.536 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.98 -158.87 24.16 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.216 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.78 142.9 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 tp -88.68 108.65 19.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.826 0.346 . . . . 0.0 110.971 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 51.6 mt-10 -103.0 128.84 49.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.19 148.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.837 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -93.8 105.46 17.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.969 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.97 -158.75 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.286 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.0 -38.26 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.63 4.65 53.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 111.408 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.43 -147.53 18.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.118 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -80.98 130.9 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.818 0.342 . . . . 0.0 110.605 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.66 144.19 32.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.424 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.0 mtp -79.95 147.26 31.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.393 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.17 133.53 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.4 t -92.21 134.08 35.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -59.27 -21.7 60.03 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.269 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.453 HE21 ' HB2' ' A' ' 68' ' ' SER . 7.3 tp-100 -87.82 68.69 9.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.496 0.665 . . . . 0.0 109.839 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.0 m -127.32 158.87 36.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.08 18.65 9.21 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.541 0.526 . . . . 0.0 112.301 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.71 96.54 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.435 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -108.78 150.19 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.995 0.397 . . . . 0.0 110.322 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -55.92 132.11 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.453 ' HB2' HE21 ' A' ' 62' ' ' GLN . 32.4 t -77.55 51.78 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.245 -172.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 mtpp -124.56 -92.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.647 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 54.0 mt-30 -154.3 121.38 5.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -76.86 128.66 34.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.78 46.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.806 0.812 . . . . 0.0 110.699 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -148.06 64.15 7.98 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.528 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.99 -9.86 8.46 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.965 2.443 . . . . 0.0 113.784 -168.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.5 m -72.12 -6.39 42.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.13 -175.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.72 -23.26 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.035 0.445 . . . . 0.0 110.449 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.57 25.64 3.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 p -57.94 -43.78 86.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.888 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.681 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 29.4 mtpp -67.83 -17.02 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.74 -53.46 20.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.4 m -62.49 -38.25 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 79' ' ' LYS . 33.6 tt0 -57.78 -45.55 85.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.693 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.688 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.525 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.99 8.68 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.593 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.8 t30 63.65 49.26 3.06 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.045 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m -132.69 173.7 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.472 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.58 -167.82 29.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.74 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.2 155.57 90.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 111.681 -174.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 17.7 Cg_exo -65.32 121.6 9.08 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.257 2.638 . . . . 0.0 112.715 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.37 -51.27 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 p -145.37 149.08 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.709 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 130' ' ' LEU . 67.8 tp -141.95 135.79 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.647 ' HA3' ' HG2' ' A' ' 70' ' ' GLN . . . 167.05 -139.36 5.69 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.954 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 61.3 Cg_endo -93.9 126.57 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.96 2.44 . . . . 0.0 112.546 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 57.6 t80 -139.76 116.15 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.9 tp 57.97 85.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.853 0.721 . . . . 0.0 111.234 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 97' ' ' LYS . 48.9 mtmt -65.11 96.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 -28.13 68.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.43 71.03 0.55 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.363 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m -149.45 99.66 3.38 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.588 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.43 -19.39 64.14 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.211 2.607 . . . . 0.0 113.078 -174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.665 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 28.6 tt0 -84.33 -36.43 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.908 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.1 m -83.94 -17.09 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.066 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 p -111.8 150.35 30.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.903 0.383 . . . . 0.0 110.686 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 58' ' ' MET . 25.3 pt -123.06 157.34 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.16 127.09 73.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.452 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -101.1 145.87 28.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.967 0.413 . . . . 0.0 111.522 -176.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -126.04 149.52 48.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.648 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.04 -143.97 16.5 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.23 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -77.13 136.96 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.896 0.379 . . . . 0.0 110.782 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -55.51 112.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.269 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.39 -5.3 38.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.592 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.1 t -101.49 118.41 36.9 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.483 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -98.41 32.18 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.557 0.694 . . . . 0.0 109.505 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.9 m -78.89 -18.95 53.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.076 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -144.63 88.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.314 0.578 . . . . 0.0 110.278 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.2 m -124.33 154.98 39.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.028 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 m -136.68 175.41 9.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.608 0.242 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.665 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.2 t60 -58.07 139.15 55.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -68.74 95.78 0.69 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.409 0.623 . . . . 0.0 110.032 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -94.05 16.01 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.659 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 42.0 t-20 -116.13 128.59 55.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.96 -15.79 56.55 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.659 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.4 ptp -93.16 35.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.751 0.786 . . . . 0.0 109.964 177.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.46 152.18 43.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.08 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -134.94 135.21 41.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.99 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -68.86 122.74 19.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 93' ' ' GLY . 34.6 tp -72.02 125.05 26.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.079 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.519 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -119.24 138.37 13.39 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.865 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 92' ' ' LEU . 61.8 tp -125.58 129.39 49.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.8 m -110.34 106.94 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.046 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.5 m -93.16 148.89 21.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.96 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.98 101.11 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 110.285 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.225 177.034 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 120.69 0.281 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 7.9 m -95.43 153.75 17.54 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 12.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -102.52 -12.59 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.087 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -78.7 148.03 72.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.226 0.536 . . . . 0.0 111.273 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.505 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 58.7 Cg_endo -71.62 -9.07 24.42 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.521 2.814 . . . . 0.0 112.823 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.74 6.6 39.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -80.15 135.71 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.027 0.441 . . . . 0.0 111.1 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -134.47 131.7 38.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.114 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.5 160.28 39.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -142.7 166.51 24.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.591 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 90.2 mt -112.91 140.55 47.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.8 p -67.96 168.55 11.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.414 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.759 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -84.62 53.15 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.938 -172.008 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -74.1 -71.08 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.759 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -111.19 -54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 109.741 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 t -150.67 -170.84 3.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.006 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -76.78 -25.84 53.83 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.313 -175.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.3 m -101.22 18.09 20.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.96 108.25 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.966 0.412 . . . . 0.0 111.342 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.81 -162.85 35.24 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.776 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 2.2 mp0 -76.69 145.53 38.68 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.88 115.93 23.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -111.61 123.72 50.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.508 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.56 153.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.222 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -93.3 112.5 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.375 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD11 HD13 ' A' ' 105' ' ' ILE . 80.7 mt -111.63 -170.42 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.2 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -51.34 -47.46 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -84.75 1.66 45.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.89 -143.79 17.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.578 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -78.86 134.71 36.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.966 0.412 . . . . 0.0 111.178 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.38 135.37 23.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.778 176.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 105' ' ' ILE . 61.5 mtp -74.77 150.32 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.518 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.33 134.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.836 0.35 . . . . 0.0 110.501 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.8 t -92.79 147.09 23.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.272 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 94' ' ' PRO . 16.4 m -81.29 32.75 0.34 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.847 HE21 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -131.53 31.27 4.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.734 0.778 . . . . 0.0 108.964 174.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -101.05 155.06 18.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.793 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 59.05 27.44 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.766 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 19.02 76.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.886 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -101.03 146.35 27.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.005 0.431 . . . . 0.0 110.432 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.6 p -110.35 -165.87 1.04 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 t -74.55 70.96 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.175 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.83 149.56 51.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.224 -179.097 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -104.54 85.25 2.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -65.92 163.55 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -86.05 49.95 1.88 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.845 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -161.18 80.08 2.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.234 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.84 -16.37 18.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 111.268 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 3.7 p -69.42 -3.35 14.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.104 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -54.46 -31.26 55.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.598 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.27 29.7 7.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.774 0.321 . . . . 0.0 111.635 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -58.19 -37.57 75.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.283 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.749 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 10.8 mmpt? -69.87 -30.0 67.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.306 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.05 -45.47 90.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -37.99 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.273 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.05 -40.11 95.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.505 ' NH2' ' HA ' ' A' ' 31' ' ' PRO . 40.6 mmt180 -63.54 -31.85 73.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.3 mt -92.84 -0.63 57.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.109 0.48 . . . . 0.0 110.958 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 57.91 44.99 19.0 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.417 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.59 -175.66 2.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.776 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.55 -166.94 39.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.551 ' OD1' ' HD2' ' A' ' 89' ' ' PRO . 34.7 t70 -66.23 143.24 98.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 122.642 0.377 . . . . 0.0 110.723 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.551 ' HD2' ' OD1' ' A' ' 88' ' ' ASP . 31.9 Cg_endo -67.93 116.56 4.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.766 2.31 . . . . 0.0 112.282 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 133' ' ' LEU . 3.7 tt -79.02 -50.19 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.925 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 p -144.09 143.05 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.087 -174.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 93' ' ' GLY . 6.0 tt -137.79 128.95 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.419 ' N ' HD23 ' A' ' 92' ' ' LEU . . . 157.91 -162.52 32.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.014 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 61' ' ' SER . 21.6 Cg_exo -65.23 97.12 0.29 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.619 2.212 . . . . 0.0 110.839 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -91.47 -29.12 17.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.246 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 tp -146.61 157.17 43.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -128.26 74.89 1.58 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -8.06 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.585 0.707 . . . . 0.0 111.554 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.523 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 20.7 t80 55.35 45.21 25.95 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.483 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.3 m -114.03 87.3 12.68 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.725 0.297 . . . . 0.0 111.214 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 2.0 Cg_endo -82.18 50.44 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.171 2.581 . . . . 0.0 111.492 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.791 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -128.73 -58.6 1.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.051 -178.306 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m -87.24 12.77 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 p -112.4 148.72 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.506 . . . . 0.0 111.464 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 52' ' ' LEU . 31.7 pt -121.04 154.05 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.1 131.36 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.5 t -118.97 156.31 29.81 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.101 -173.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.482 ' HB2' HD22 ' A' ' 116' ' ' ASN . 50.8 m-85 -129.07 160.51 32.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.779 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.0 -156.39 15.61 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.622 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -68.41 136.92 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.227 0.211 . . . . 0.0 110.463 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.73 114.27 1.99 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.039 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.64 -8.51 32.23 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.633 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 5.9 t -102.69 115.37 30.46 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.977 0.418 . . . . 0.0 110.502 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -93.47 41.69 1.09 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.625 0.726 . . . . 0.0 109.439 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -81.7 -43.61 18.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.515 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.482 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.6 t30 -119.26 75.49 1.05 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.209 0.528 . . . . 0.0 110.157 -176.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.7 m -108.64 158.81 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.061 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.6 m -147.53 168.2 22.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.447 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -62.38 132.31 52.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.0 t -74.08 100.82 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.216 0.531 . . . . 0.0 110.911 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -103.97 45.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.92 0.867 . . . . 0.0 108.886 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -116.9 125.28 51.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.024 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.19 -27.86 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.895 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.0 ptp -99.43 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 110.249 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.88 105.5 9.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.765 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -94.82 139.26 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -75.91 122.08 23.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.75 137.33 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.87 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -137.52 162.58 25.46 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.721 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.3 tp -131.72 139.69 49.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.6 m -119.93 104.8 10.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.638 0.256 . . . . 0.0 110.695 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.8 m -94.63 137.01 34.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.428 ' CD2' HD12 ' A' ' 90' ' ' LEU . 89.0 mt -60.8 121.03 11.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.047 173.115 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.43 HD12 HD22 ' A' ' 52' ' ' LEU . 61.7 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -101.54 146.54 27.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -68.48 1.24 3.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.932 -178.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.63 -5.49 24.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.832 0.349 . . . . 0.0 110.127 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -71.03 142.52 87.71 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.04 -18.87 57.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -124.3 33.27 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.555 0.693 . . . . 0.0 110.573 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 86.0 t80 -76.68 125.89 30.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -109.95 121.04 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.028 0.442 . . . . 0.0 111.259 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.74 163.11 38.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.398 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 170.89 21.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.379 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 44' ' ' CYS . 49.1 mt -117.33 142.41 47.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.959 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 p -63.81 167.43 6.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.669 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -76.26 53.09 0.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.968 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 m -81.78 -24.15 36.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -170.15 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -145.83 170.66 16.1 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.592 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -76.19 -3.08 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -171.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.632 ' HA ' HD12 ' A' ' 37' ' ' LEU . 89.7 m -118.23 24.24 11.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 111.632 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 18.9 pt20 -161.05 120.6 2.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.301 0.572 . . . . 0.0 110.497 172.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.65 -151.61 23.25 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.024 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.01 134.97 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 37' ' ' LEU . 51.5 tp -80.88 118.87 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.109 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -112.38 134.1 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.595 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.47 148.12 19.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -97.87 101.36 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.136 0.493 . . . . 0.0 110.828 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 26' ' ' LEU . 53.4 mt -99.18 -177.24 3.55 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.44 -27.26 68.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.228 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -79.34 -4.48 51.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.713 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.5 -167.45 12.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.886 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -76.2 120.3 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -136.03 140.7 44.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.109 0.48 . . . . 0.0 111.483 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtp -72.88 145.4 46.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.211 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.19 129.37 43.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 120.758 0.313 . . . . 0.0 110.185 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.411 ' HB3' HG12 ' A' ' 106' ' ' ILE . 9.8 t -87.54 141.29 28.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -62.11 -15.14 43.31 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -91.84 31.5 1.22 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -88.98 155.0 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.852 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 55.53 22.78 5.4 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.416 0.687 . . . . 0.0 112.037 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.61 32.4 78.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.482 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.539 ' HD2' HD13 ' A' ' 111' ' ' LEU . 3.1 mmp_? -78.54 162.46 26.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -79.24 131.69 36.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.887 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.1 t -77.63 71.63 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.299 0.571 . . . . 0.0 110.253 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -154.04 174.48 14.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.64 112.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -73.05 136.79 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.145 0.498 . . . . 0.0 110.443 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -73.62 -25.54 60.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.572 -170.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 78.99 70.93 Favored Pre-proline 0 N--CA 1.464 0.252 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.25 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 15.6 Cg_exo -70.92 -13.58 31.84 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 111.668 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.544 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.4 m -61.0 -27.89 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.791 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -66.22 -8.85 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.761 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.78 16.54 26.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.02 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 13.0 p -57.16 -33.39 67.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.905 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -52.68 -36.41 57.08 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.45 -48.53 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 m -63.15 -36.01 82.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 78' ' ' SER . 48.8 mt-30 -64.19 -43.4 95.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.953 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -67.73 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -90.79 2.62 55.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.73 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 59.54 42.49 17.43 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.829 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 92.4 m -126.01 171.31 10.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -75.66 -171.34 30.37 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.491 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.1 155.33 16.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.59 0.756 . . . . 0.0 111.969 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.1 Cg_endo -81.99 120.6 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.182 2.588 . . . . 0.0 112.257 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.477 HD11 HD23 ' A' ' 133' ' ' LEU . 79.5 mt -88.0 -44.94 10.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 -177.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -134.39 149.5 50.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.1 tt -156.77 123.47 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.6 -162.4 28.48 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.611 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -64.8 87.16 0.17 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.712 2.274 . . . . 0.0 111.532 176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 96' ' ' LEU . 11.7 t80 -96.73 -26.51 15.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 -176.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 95' ' ' PHE . 5.8 mp -135.13 169.66 17.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.719 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -132.82 77.99 1.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -71.38 -36.45 71.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.466 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 56.36 69.78 0.71 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.365 0.602 . . . . 0.0 110.641 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.6 m -145.23 85.33 8.12 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.79 44.99 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.214 2.609 . . . . 0.0 113.281 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -131.47 -52.74 1.01 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.7 m -76.26 -29.04 57.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.602 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 130.39 35.11 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.801 0.334 . . . . 0.0 110.994 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.54 150.22 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.705 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 60' ' ' CYS . 44.7 mt -111.13 115.06 48.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.2 t -100.52 154.2 18.74 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.841 -174.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -123.42 156.27 35.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.43 -148.98 16.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.872 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.96 146.91 24.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 66' ' ' ARG . 55.3 tp -52.97 112.43 0.85 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.791 0.436 . . . . 0.0 111.626 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.21 -8.3 52.92 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.62 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 t -104.78 106.88 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.971 0.415 . . . . 0.0 110.293 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.29 60.96 6.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.667 0.746 . . . . 0.0 109.301 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.1 m -71.44 -55.12 8.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.877 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -136.42 104.4 5.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.807 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.4 m -106.71 144.48 33.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.187 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 m -117.39 139.74 50.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -67.41 122.79 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -50.15 113.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.722 0.639 . . . . 0.0 112.367 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -87.47 28.75 0.94 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.547 0.689 . . . . 0.0 109.466 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -132.04 136.57 47.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.502 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.19 -27.24 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.832 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.02 150.62 24.09 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.552 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.6 t -162.83 148.66 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.119 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -108.92 131.57 54.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.776 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -75.96 121.05 22.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.02 106.47 4.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.955 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -96.86 125.29 8.42 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.781 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 59.4 tp -113.48 130.03 56.42 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.4 m -120.69 106.8 12.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.745 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.4 m -95.53 159.01 15.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 90' ' ' LEU . 21.9 mt -63.85 89.39 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.124 0.488 . . . . 0.0 110.663 175.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.925 178.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 114' ' ' PHE . 93.6 mt . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.744 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.3 m -84.48 146.64 27.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.607 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -76.83 15.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.663 0.745 . . . . 0.0 110.404 176.552 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 88.5 t80 -106.54 -9.06 16.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.094 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.49 139.48 86.67 Favored Pre-proline 0 CA--C 1.518 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.449 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.65 -56.84 2.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.235 2.623 . . . . 0.0 113.187 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 36.36 2.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.917 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.8 t80 -74.77 115.56 14.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -100.31 132.91 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -148.76 154.5 39.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.654 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -130.7 153.82 48.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 0.0 110.12 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 130' ' ' LEU . 79.0 mt -111.12 126.03 54.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 68.4 p -72.51 170.59 14.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.275 -166.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -75.55 23.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.363 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' THR . 31.2 m -73.63 -28.61 61.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.862 0.363 . . . . 0.0 111.008 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 2.1 t-20 -144.79 -58.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.52 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 8.3 t -160.97 163.2 31.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -64.15 -11.26 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 23.0 t -117.66 15.49 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.407 . . . . 0.0 110.869 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 14.3 pt20 -167.6 112.91 0.71 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.311 0.577 . . . . 0.0 110.927 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.4 -152.19 11.76 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG2' HD13 ' A' ' 96' ' ' LEU . 41.1 mt-30 -71.6 133.56 45.82 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -86.05 109.64 18.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.941 0.4 . . . . 0.0 110.749 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -113.05 121.49 44.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 175.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.54 153.9 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.121 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -87.87 115.7 25.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.247 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD11 HD13 ' A' ' 105' ' ' ILE . 89.1 mt -112.39 -173.21 2.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.601 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -50.43 -50.17 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.267 0.354 . . . . 0.0 111.676 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.801 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 5.3 m-20 -69.33 -39.67 78.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 0.0 110.801 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.4 -150.37 22.46 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.591 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 91.0 m95 -71.94 135.53 46.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.12 0.486 . . . . 0.0 111.312 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.801 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 69.9 m80 -138.94 141.21 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.364 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.536 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 67.3 mtp -80.34 137.2 36.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.194 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.83 125.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.458 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.88 135.78 33.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.6 m -61.95 -21.57 64.91 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -172.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.59 32.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.7 0.286 . . . . 0.0 111.644 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 m -92.89 154.44 18.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.64 0.257 . . . . 0.0 111.049 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 57.43 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.42 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.54 39.16 0.7 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.481 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HD3' HD11 ' A' ' 111' ' ' LEU . 10.2 mmm180 -97.55 129.04 44.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.215 -177.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.683 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 7.0 m -79.07 162.77 25.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.812 176.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.3 63.1 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 109.667 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 64.5 pttt -156.27 170.98 21.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.041 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.6 HE22 ' HA ' ' A' ' 91' ' ' SER . 5.2 tp60 -69.31 110.12 4.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -72.78 143.06 48.07 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.09 -2.8 11.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.81 98.27 4.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 0.0 111.097 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -94.15 0.63 3.05 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.158 2.572 . . . . 0.0 112.092 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.2 m -63.43 -19.8 65.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.196 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -55.16 -30.73 60.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.725 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.05 22.17 3.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.495 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 20.9 t -54.26 -49.7 68.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.61 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmmm -63.23 -26.29 68.72 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.48 -52.08 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -57.0 -41.97 79.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.676 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 78' ' ' SER . 84.1 mt-30 -67.59 -39.67 84.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -66.62 -23.79 66.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 111.072 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.57 7.94 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 61.06 41.25 14.09 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.442 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.6 m -112.87 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.403 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.46 -140.07 3.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.374 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.19 159.71 64.46 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.543 0.211 . . . . 0.0 110.494 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.8 Cg_exo -73.71 134.43 20.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.996 2.464 . . . . 0.0 112.341 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.72 -54.67 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.6 ' HA ' HE22 ' A' ' 70' ' ' GLN . 15.7 p -138.19 148.34 44.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.798 0.333 . . . . 0.0 110.824 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 130' ' ' LEU . 44.1 tp -148.61 86.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.45 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.54 -163.15 18.32 Favored Glycine 0 C--O 1.225 -0.406 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 92.49 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.318 2.012 . . . . 0.0 112.261 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.573 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.3 t80 -87.34 -25.63 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.2 mp -128.42 138.98 52.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.724 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.481 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 50.3 tttp -90.89 24.21 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.859 0.837 . . . . 0.0 109.512 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -79.3 134.82 36.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' HE2' ' HA ' ' A' ' 124' ' ' MET . 19.5 m-85 -107.84 121.12 44.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.611 178.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 m -132.33 83.69 54.22 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.6 65.52 5.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.183 2.589 . . . . 0.0 112.443 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.04 -64.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.452 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 p -87.05 -22.07 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.462 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 20.1 m -77.6 124.23 27.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 110.274 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 42.8 pt -113.66 162.94 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.082 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.8 tt -128.5 130.92 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 174.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.75 155.75 34.6 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.23 -172.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -134.93 161.62 34.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.935 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.53 -125.84 4.52 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -98.77 135.41 40.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.495 HD11 ' HD3' ' A' ' 66' ' ' ARG . 56.7 tp -59.56 103.27 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 110.743 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 125.58 -14.99 7.18 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.176 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 21.1 t -115.91 123.08 47.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.049 0.452 . . . . 0.0 111.126 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 91.3 m-85 -82.3 63.23 6.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -60.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.701 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -138.65 102.62 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.0 150.84 33.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.433 -173.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -137.69 177.03 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -85.31 136.76 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.5 t -59.58 103.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 121' ' ' ARG . 47.3 mtm180 -93.44 35.42 1.1 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.368 0.604 . . . . 0.0 110.111 174.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -115.24 165.46 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.3 -44.22 63.05 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.501 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 99' ' ' TYR . 25.4 ptt? -93.77 156.48 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.502 -174.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 51.6 t -177.34 130.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.481 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 27.6 m80 -120.22 136.37 54.67 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.453 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 49.5 m -66.3 118.86 10.57 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.842 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.5 tt -76.07 130.93 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.765 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -116.54 130.85 9.2 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.735 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 92' ' ' LEU . 53.6 tp -107.61 122.23 46.26 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.9 m -110.86 108.84 18.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.818 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.723 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.7 m -98.43 157.32 16.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.01 93.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.102 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 41.9 tt0 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.254 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -120.3 156.23 31.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.599 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CD1' ' HD1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -73.68 12.44 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.436 ' HD1' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-85 -110.11 -0.85 17.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.001 0.429 . . . . 0.0 110.181 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.9 125.69 54.28 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.791 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.16 -12.59 33.28 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.018 2.478 . . . . 0.0 111.987 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.97 -7.96 56.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -87.73 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.368 . . . . 0.0 110.586 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -120.15 143.87 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.29 170.62 21.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.386 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -147.29 172.33 14.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 44' ' ' CYS . 96.5 mt -115.55 132.79 56.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -58.28 149.92 23.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.583 -175.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -73.73 60.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.784 0.802 . . . . 0.0 111.058 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -87.23 -54.89 4.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.89 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -119.43 -49.6 2.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -159.97 -179.16 7.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -66.86 -30.41 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 111.598 -175.513 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 97.0 m -115.54 31.18 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.022 0.439 . . . . 0.0 111.096 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -157.22 100.74 1.86 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 0.0 110.217 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.72 -145.58 6.86 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.581 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.759 HE22 ' HB ' ' A' ' 98' ' ' THR . 64.7 mt-30 -104.19 139.36 39.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.36 117.12 11.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 111.554 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -120.96 121.43 38.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -108.76 152.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -171.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -97.88 95.37 7.47 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.745 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.03 -170.95 2.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -56.33 -35.96 68.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.208 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.81 -31.29 22.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.546 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.25 -147.29 17.96 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.87 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -84.82 125.39 32.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 0.0 111.467 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -135.75 140.96 44.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 99' ' ' TYR . 78.5 mtp -80.58 141.59 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.31 124.58 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 t -88.17 135.74 33.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -70.58 -8.9 55.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.866 HE21 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.75 -9.81 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.056 0.455 . . . . 0.0 110.756 177.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -62.43 155.71 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.428 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 61.99 22.63 13.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.999 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.61 42.86 97.15 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.464 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . 22.2 mmt180 -111.54 138.87 47.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 111.249 -177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -83.78 168.06 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 22.9 t -78.67 66.7 4.24 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.486 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -139.56 158.55 43.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.761 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 9.8 tt0 -83.62 140.32 32.27 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 66' ' ' ARG . 15.9 m95 -83.38 153.2 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -173.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.77 -25.48 67.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.756 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -124.83 97.82 37.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.84 -14.25 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.261 1.974 . . . . 0.0 112.186 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -73.52 1.15 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.953 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.08 -22.45 66.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 110.67 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.93 18.43 22.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -57.87 -37.33 73.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -59.35 -37.58 78.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.39 -51.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 60.8 m -61.21 -42.08 97.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.82 -35.93 82.05 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.726 -0.215 . . . . 0.0 110.52 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -66.91 -27.15 67.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.018 0.437 . . . . 0.0 110.062 177.464 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.84 2.91 50.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 68.76 43.75 1.22 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.628 0.727 . . . . 0.0 110.68 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.5 m -133.79 159.24 41.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.783 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.37 -159.49 28.02 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.934 -174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 29.5 t70 -56.03 140.54 69.69 Favored Pre-proline 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 0.0 112.2 -174.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 18.3 Cg_exo -63.83 109.18 1.03 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.386 2.724 . . . . 0.0 112.146 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.23 -32.25 70.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.62 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -148.24 143.31 26.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.245 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 6.0 tt -152.22 117.35 5.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.53 -173.6 37.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.509 -0.853 . . . . 0.0 111.84 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 76.5 Cg_exo -52.64 122.2 10.49 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.945 2.43 . . . . 0.0 112.419 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 89.4 t80 -135.82 99.08 4.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.608 -177.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.8 mt 64.58 -175.95 0.17 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.21 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -131.73 46.59 2.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.396 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.759 ' HB ' HE22 ' A' ' 47' ' ' GLN . 1.5 m -83.7 6.84 19.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.205 0.526 . . . . 0.0 110.162 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 31.1 p90 -53.66 129.16 32.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.306 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 103' ' ' SER . 24.3 m -82.14 111.0 23.89 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.25 -24.07 57.52 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.974 2.45 . . . . 0.0 113.225 -172.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.36 -19.19 28.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.3 . . . . 0.0 111.045 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.434 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 13.0 m -109.75 -6.1 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.671 -173.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 5.4 p -97.52 143.06 28.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.008 0.432 . . . . 0.0 110.804 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 pt -122.58 155.87 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 0.0 111.433 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 121' ' ' ARG . 49.9 mt -116.49 118.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.388 172.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 7.5 t -105.71 157.43 17.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -124.19 155.66 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.974 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.81 -140.52 14.79 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.82 145.74 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.16 108.13 0.34 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.79 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 28' ' ' TRP . . . 103.33 -3.24 47.03 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.925 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.2 t -102.2 113.1 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.958 0.409 . . . . 0.0 110.22 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.7 m-85 -92.68 49.66 1.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.176 0.513 . . . . 0.0 110.143 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -77.01 -30.67 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -148.84 97.21 2.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.888 0.375 . . . . 0.0 110.187 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.2 m -123.23 156.94 34.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -143.58 174.89 10.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.08 145.63 45.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -52.64 115.49 1.82 Allowed 'General case' 0 C--O 1.231 0.121 0 O-C-N 123.321 0.388 . . . . 0.0 110.401 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.502 ' H ' HD12 ' A' ' 106' ' ' ILE . 9.3 tpt180 -86.96 -5.58 59.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.249 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.57 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 10.0 t-20 -123.4 151.43 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.52 -51.12 31.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.57 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.3 ptp -78.82 130.83 36.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.283 0.563 . . . . 0.0 110.067 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.1 t -152.64 139.32 18.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.216 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -110.04 124.8 52.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.3 m -63.05 140.61 58.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.57 104.7 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -89.83 136.71 13.66 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.18 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 37' ' ' LEU . 56.5 tp -131.16 121.52 25.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 59.0 m -113.27 100.51 8.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.749 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.5 m -90.04 154.38 19.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 tt -75.16 81.03 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.83 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 10.0 pt-20 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.734 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.6 ' N ' ' HG ' ' A' ' 115' ' ' SER . 95.9 mt . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.3 p -133.33 155.0 50.24 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 24.48 0.11 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 111.958 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.5 m-85 -123.59 8.15 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.632 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -93.41 128.5 42.27 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.5 -13.79 41.61 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.602 2.202 . . . . 0.0 112.696 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.91 3.66 49.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.903 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -75.98 129.37 36.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -112.22 135.97 52.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -154.88 162.53 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.903 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 44' ' ' CYS . 95.4 mt -110.78 146.3 36.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 60.2 p -63.38 158.42 20.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -75.12 55.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.9 m -80.39 -77.04 0.2 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.13 -17.04 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.746 0.308 . . . . 0.0 111.271 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 28.8 t -165.77 158.98 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.73 -16.85 64.34 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.436 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.2 m -118.13 31.93 6.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.419 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 7.8 tt0 -159.58 102.39 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.147 0.499 . . . . 0.0 110.508 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -157.77 30.12 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 85.5 mt-30 -82.78 140.97 32.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 54.1 tp -82.53 119.21 23.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.093 0.473 . . . . 0.0 111.177 -177.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 50.3 mt-10 -115.82 126.84 54.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.375 173.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 ' CZ ' ' A' ' 114' ' ' PHE . 35.4 m -115.85 150.28 17.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -93.19 104.45 16.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' ILE . 79.3 mt -92.84 -177.59 4.57 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -68.4 -17.29 64.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.094 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -15.66 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 111.203 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.02 -157.94 23.09 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -79.46 135.02 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.852 0.358 . . . . 0.0 110.705 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.54 136.58 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.617 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 70.8 mtp -77.04 151.21 35.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.6 132.21 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 0.0 110.365 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.9 135.54 36.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.5 m -62.33 -13.53 29.81 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -80.09 -3.3 48.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.989 0.423 . . . . 0.0 111.068 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -67.5 153.98 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 111.396 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 56.02 27.18 10.92 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.21 175.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.62 42.37 98.8 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.817 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -108.23 145.29 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.256 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 p -83.8 163.05 20.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.816 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -79.01 53.55 1.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.198 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -142.34 156.9 45.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.97 108.21 12.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.61 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 11.6 p90 -69.73 159.14 34.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.07 0.462 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -67.14 -16.03 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -165.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.31 94.02 16.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.203 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.945 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.7 Cg_exo -81.09 -4.94 12.8 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.369 2.713 . . . . 0.0 112.444 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.1 m -55.17 -24.91 29.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.812 HE21 ' HA ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.29 -16.39 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.13 11.36 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.556 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -57.47 -35.03 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.822 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -68.3 -28.37 67.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.59 -48.37 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 m -58.15 -40.35 81.16 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.43 -48.54 76.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.692 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -75.81 -14.27 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 11.91 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 0.0 110.105 173.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.4 t30 64.98 51.82 1.65 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.679 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.483 ' SG ' ' HE3' ' A' ' 43' ' ' LYS . 95.4 m -143.09 177.94 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.335 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.73 -115.71 4.08 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.161 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.9 m-20 -81.95 152.17 68.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.433 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.2 Cg_endo -88.99 121.5 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.804 3.002 . . . . 0.0 111.942 177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 133' ' ' LEU . 93.5 mt -78.46 -42.35 30.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.397 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.2 m -148.15 143.55 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.945 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -143.12 124.55 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.71 -128.96 1.85 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.05 139.8 3.78 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.582 2.188 . . . . 0.0 112.46 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.1 t80 -133.66 105.82 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.28 164.18 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.68 0.752 . . . . 0.0 111.412 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -125.11 71.65 1.2 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.244 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -78.5 -22.75 46.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.535 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.515 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 97.7 m-85 57.59 67.31 0.99 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.402 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -118.26 65.61 5.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 8.3 Cg_exo -71.37 -26.64 20.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.989 2.459 . . . . 0.0 112.429 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.83 -14.55 58.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.065 0.46 . . . . 0.0 110.638 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -102.45 -7.88 21.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.133 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.4 p -116.89 168.53 10.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.248 0.547 . . . . 0.0 111.406 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.614 HD13 HD11 ' A' ' 52' ' ' LEU . 24.9 pt -127.77 147.92 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.078 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -105.27 108.52 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.01 155.61 18.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.061 0.457 . . . . 0.0 110.971 -173.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -125.02 -179.55 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.157 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.92 -130.74 10.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.878 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -110.82 148.47 32.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.66 107.82 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.915 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.76 22.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.546 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 t -100.22 114.45 27.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.168 0.509 . . . . 0.0 110.334 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 91.3 m-85 -101.8 42.76 1.11 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.791 0.805 . . . . 0.0 109.0 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 13.3 m -103.92 14.99 29.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 -174.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -170.98 79.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.183 0.516 . . . . 0.0 109.765 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.0 m -122.49 151.87 40.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.422 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 m -115.03 131.56 56.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.913 0.387 . . . . 0.0 111.231 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -71.78 111.78 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 101' ' ' PRO . 32.5 t -68.18 111.15 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.998 -173.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -96.54 15.27 22.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.95 176.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.437 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 7.6 t-20 -100.69 179.11 4.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.258 -173.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -115.66 49.93 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.154 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 24.9 ptt? -164.33 137.36 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.028 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 26.6 t 178.18 143.09 0.1 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.262 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -112.96 123.77 51.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 p -65.36 126.87 29.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.149 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 92' ' ' LEU . 8.9 tt -74.76 131.25 40.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -118.64 147.34 18.5 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.803 -176.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.732 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.4 tp -132.87 135.08 45.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.8 m -124.91 120.09 30.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.095 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.814 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 14.2 m -118.86 146.4 44.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 90' ' ' LEU . 50.3 mt -78.46 147.93 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.127 178.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 134' ' ' GLU . 5.1 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.626 170.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 52' ' ' LEU . 94.6 mt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -120.08 155.01 33.81 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 10.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.75 -6.1 18.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.583 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 12.6 m-20 -78.1 134.64 63.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 19.9 Cg_exo -67.04 -23.16 46.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.081 2.52 . . . . 0.0 112.078 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -101.54 14.96 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.952 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -72.51 108.53 5.63 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 24.2 mt-30 -97.99 117.84 33.23 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.62 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.16 155.54 42.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.838 HH11 HH21 ' A' ' 39' ' ' ARG . 10.4 ptp180 -150.15 152.62 34.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.963 0.411 . . . . 0.0 110.438 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.6 mt -97.26 139.92 32.52 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.2 p -57.83 140.42 51.83 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.342 0.401 . . . . 0.0 110.796 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.838 HH21 HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.64 63.07 4.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.108 -175.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.2 t -61.62 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -138.62 -54.61 0.61 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.488 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.4 m -91.82 124.85 36.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.466 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -69.14 -15.19 63.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.904 0.383 . . . . 0.0 111.053 -174.123 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.765 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 0.5 OUTLIER -109.53 28.72 8.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 tt0 -154.55 97.46 2.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.103 174.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.36 -167.71 34.2 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -73.58 143.62 46.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 tp -89.67 116.04 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.97 0.414 . . . . 0.0 111.396 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.44 127.34 56.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.259 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.24 151.33 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 80.7 t80 -94.67 105.33 17.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.913 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 4.7 mp -93.41 -179.38 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -62.63 -32.47 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.412 0.625 . . . . 0.0 109.637 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.34 -38.61 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.283 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.63 -164.15 29.07 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.292 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.85 128.59 35.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.76 0.28 . . . . 0.0 110.665 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -143.52 152.81 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.486 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 80.2 mtp -87.71 130.87 34.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.668 -176.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.6 t -87.95 129.89 38.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.89 0.376 . . . . 0.0 110.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -98.15 146.2 25.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 p -73.01 -16.01 61.52 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 53.3 tp60 -83.38 53.94 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -118.32 149.88 40.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.535 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 58.69 21.63 9.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.214 0.606 . . . . 0.0 112.358 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.74 71.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.807 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 10.5 mmt180 -78.51 151.06 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.268 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -95.13 161.41 14.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.71 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -75.01 57.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.233 0.54 . . . . 0.0 111.25 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.63 160.61 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 92.78 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.763 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.487 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 31.9 p90 -70.37 155.71 40.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -85.69 36.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.544 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.406 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 18.3 m-20 -136.54 62.41 42.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.735 0.303 . . . . 0.0 110.996 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 1.2 Cg_endo -83.94 -23.44 3.12 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.722 2.281 . . . . 0.0 112.695 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.0 m -59.24 -20.53 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.08 -15.33 62.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.694 0.283 . . . . 0.0 111.321 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.94 12.2 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.353 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -57.39 -31.03 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.901 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 7.5 mmpt? -62.08 -42.66 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.082 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.58 -43.7 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.7 m -59.01 -41.98 89.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.251 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -67.5 -33.96 76.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 45.4 mmt-85 -60.93 -30.64 70.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.133 0.492 . . . . 0.0 110.246 176.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.25 11.8 29.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.254 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 62.49 41.02 10.2 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.3 0.572 . . . . 0.0 111.04 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.7 m -113.95 170.73 8.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.298 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.16 -133.77 5.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.265 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.67 152.27 96.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.398 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 1.5 Cg_endo -80.24 117.79 3.54 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.12 2.546 . . . . 0.0 111.427 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.71 -47.62 16.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.611 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -138.08 143.33 40.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.539 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.45 -132.9 1.94 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.08 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.61 141.03 8.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.361 2.04 . . . . 0.0 112.181 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.073 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 53.5 t80 -120.12 83.92 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt 63.18 -167.78 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.414 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -112.86 115.5 28.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.08 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.2 m -96.94 -45.52 6.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.433 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 55.13 84.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.484 0.49 . . . . 0.0 111.076 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 m -153.06 78.28 5.97 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -74.17 33.41 0.35 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.046 2.497 . . . . 0.0 112.904 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -111.17 -37.35 5.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.161 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 m -117.03 -15.55 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.067 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 14.5 p -73.12 134.39 44.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.35 . . . . 0.0 111.741 -175.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.4 pt -135.31 160.8 40.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.156 0.503 . . . . 0.0 111.103 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.9 mt -125.78 131.47 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.897 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.5 t -108.21 155.24 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.979 -173.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.03 172.5 10.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.689 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.1 -83.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.327 -0.939 . . . . 0.0 113.171 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -154.85 140.41 17.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.589 0.233 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.97 108.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.257 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.5 -9.63 24.1 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.64 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 t -107.71 109.88 21.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.138 0.494 . . . . 0.0 110.39 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -93.15 48.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.2 p -85.53 -31.2 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.672 -176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.4 93.77 2.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.115 0.483 . . . . 0.0 110.447 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.6 m -119.14 144.28 46.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.668 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.8 m -125.97 151.94 46.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.215 0.531 . . . . 0.0 111.022 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -89.08 100.37 13.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.539 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 t -81.01 109.42 15.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -80.41 65.92 5.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.414 0.626 . . . . 0.0 110.14 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.58 137.58 13.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.333 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.81 39.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -173.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.0 ptp -92.73 2.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.417 0.627 . . . . 0.0 109.409 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.0 t -109.28 146.15 34.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.998 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -101.01 134.77 43.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.187 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -57.68 141.8 47.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.73 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.6 tt -75.06 125.55 29.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.843 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 1.073 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.33 129.13 7.91 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.645 HD13 ' HG ' ' A' ' 92' ' ' LEU . 43.5 tp -110.64 130.56 55.54 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.3 m -116.29 108.27 15.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.065 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.765 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.1 m -114.77 155.11 27.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.439 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.59 90.78 0.57 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.218 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 6.0 pt-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.253 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -149.65 155.32 40.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.52 23.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.299 0.571 . . . . 0.0 110.469 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HA ' ' HG3' ' A' ' 79' ' ' LYS . 2.4 t80 -103.78 -19.43 14.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.8 135.19 43.13 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.046 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.93 -20.81 33.54 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.865 2.376 . . . . 0.0 112.373 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.66 4.58 53.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.456 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.83 112.87 20.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.6 mm-40 -77.66 110.14 12.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.42 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.327 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -153.8 160.03 42.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.408 . . . . 0.0 110.483 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.629 ' H ' HD21 ' A' ' 84' ' ' LEU . 96.4 mt -100.06 133.56 44.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 168.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -70.13 165.92 20.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 39' ' ' ARG . 37.1 mtp180 -62.38 -74.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.15 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t 60.39 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.524 0.515 . . . . 0.0 111.562 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -128.97 -50.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.384 0.611 . . . . 0.0 109.565 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -135.51 139.5 44.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.635 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.8 -15.99 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.123 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 60.7 m -104.86 18.64 21.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 0.0 110.083 173.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 6.9 tt0 -156.46 81.54 0.97 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.73 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.83 -155.93 7.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.012 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.418 HE21 ' HD2' ' A' ' 95' ' ' PHE . 10.7 mp0 -91.3 138.65 31.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 tp -81.89 114.33 20.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -107.58 134.28 50.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.1 m -127.89 152.86 36.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.5 t80 -91.86 114.36 26.87 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.204 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.1 mt -117.16 -160.18 0.76 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.49 -30.93 70.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.501 0.191 . . . . 0.0 111.4 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -98.97 11.72 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.64 -159.4 15.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.759 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.424 ' CZ2' ' HB3' ' A' ' 34' ' ' GLN . 85.7 m95 -83.43 117.36 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.605 0.238 . . . . 0.0 110.627 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -140.43 153.72 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.139 0.495 . . . . 0.0 111.466 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.449 ' O ' ' HA ' ' A' ' 104' ' ' SER . 70.5 mtp -76.46 131.25 38.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.191 -175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.77 133.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB3' HG12 ' A' ' 106' ' ' ILE . 8.4 t -93.14 141.91 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.1 p -74.05 -1.67 21.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -89.9 15.58 9.66 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.692 0.758 . . . . 0.0 110.355 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -75.9 153.57 36.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 61.36 25.37 15.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.677 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.5 24.74 69.6 Favored Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.376 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -91.81 161.09 15.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.923 0.392 . . . . 0.0 110.287 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 p -77.09 145.75 37.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.996 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -75.58 55.48 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.697 0.761 . . . . 0.0 110.266 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 8.2 mmpt? -142.65 175.59 9.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -94.45 118.15 31.2 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.96 174.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -83.57 -168.65 2.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.1 -49.6 75.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -172.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -115.83 103.33 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 0.0 111.069 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -91.02 2.06 4.71 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.795 2.33 . . . . 0.0 112.186 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.589 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 24.6 m -92.47 5.65 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.946 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.03 -8.51 53.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.186 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.71 24.67 7.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.603 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.6 p -54.9 -42.76 72.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.215 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 29' ' ' TYR . 71.8 mmtt -58.55 -35.07 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.815 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.97 -51.37 50.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m -58.45 -41.26 84.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.465 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -62.09 -46.5 88.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.339 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -73.49 -12.12 60.68 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.9 mp -98.87 6.44 46.81 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 174.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 63.29 36.61 11.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.19 164.23 12.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.9 -170.47 40.77 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.595 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 m-20 -57.17 148.4 52.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 122.935 0.494 . . . . 0.0 111.509 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.589 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 9.1 Cg_exo -71.38 113.19 3.53 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.049 2.499 . . . . 0.0 112.171 178.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 133' ' ' LEU . 2.5 tt -85.61 -39.2 17.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.862 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 43.4 m -143.87 157.71 44.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -175.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 130' ' ' LEU . 22.3 tp -153.87 172.29 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 92' ' ' LEU . . . 117.21 -128.75 8.01 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.457 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -85.8 132.5 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.625 2.216 . . . . 0.0 112.66 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.921 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 37.4 t80 -127.18 100.76 6.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 90.2 mt 75.09 165.57 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.997 0.811 . . . . 0.0 111.239 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' HG2' ' HD1' ' A' ' 99' ' ' TYR . 40.0 ttmt -103.28 81.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -57.98 -58.56 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.663 -171.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.573 ' HA ' ' O ' ' A' ' 123' ' ' ASP . 5.3 m-85 52.75 52.86 13.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.272 0.558 . . . . 0.0 110.679 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -143.06 87.99 8.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.16 -31.21 30.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.52 2.147 . . . . 0.0 112.426 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.495 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 50.4 tp60 -82.53 40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.53 0.681 . . . . 0.0 110.718 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 m -162.61 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.067 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.1 p -99.3 150.02 22.54 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.299 0.571 . . . . 0.0 111.707 -174.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.02 147.88 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.263 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 ' HB3' ' A' ' 60' ' ' CYS . 70.7 mt -118.06 120.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.929 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.9 m -95.23 152.69 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -129.47 160.34 33.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.378 176.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.81 -143.53 16.37 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.694 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.72 148.56 22.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -52.87 113.41 1.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.565 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.28 -10.78 47.31 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.467 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t -89.77 107.63 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.0 110.423 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.14 35.2 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.906 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 m -80.59 -35.05 34.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.236 -175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -126.59 100.15 6.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 38.8 m -124.18 136.3 54.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.0 m -114.53 145.69 41.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.009 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.0 t-80 -72.16 126.62 30.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -67.49 128.78 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.034 0.445 . . . . 0.0 110.94 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 6.8 tpt180 -106.39 6.44 30.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.715 0.769 . . . . 0.0 109.453 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -112.71 131.51 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.459 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.2 p30 -69.1 -28.97 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.818 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -75.72 73.59 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.305 0.574 . . . . 0.0 110.597 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.03 127.3 30.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.32 121.67 43.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.236 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.1 m -59.48 142.75 51.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.619 HD21 HD11 ' A' ' 92' ' ' LEU . 9.2 tt -73.96 120.09 19.07 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.591 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.921 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.71 149.79 16.79 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.794 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 92' ' ' LEU . 59.4 tp -133.16 121.7 22.95 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 27.2 m -108.02 96.61 6.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 4.9 m -94.07 146.53 23.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 90' ' ' LEU . 85.6 mt -61.06 98.31 0.07 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 28.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.931 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 29' ' ' TYR . 42.8 m -148.56 159.03 44.47 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 25.46 0.1 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.529 0.681 . . . . 0.0 110.646 177.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' H ' ' C ' ' A' ' 27' ' ' SER . 85.5 t80 -113.66 -12.39 12.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.076 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.38 137.87 23.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 -13.75 35.58 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.044 2.496 . . . . 0.0 113.436 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -104.18 10.42 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 111.249 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -92.19 138.14 31.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.777 0.322 . . . . 0.0 110.162 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 7.1 mm100 -118.04 136.03 53.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 111.638 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 154.48 42.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.828 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -151.02 160.28 44.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 110.641 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 44' ' ' CYS . 91.1 mt -109.67 144.45 38.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 p -72.14 159.72 33.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.136 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.79 -56.95 12.95 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.13 0.269 . . . . 0.0 110.67 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t 50.4 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.081 0.863 . . . . 0.0 112.206 172.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -125.64 -47.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.793 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 14.5 m -126.7 147.5 49.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -72.53 -10.36 59.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.595 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 93.9 m -113.01 29.23 8.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.4 168.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 52.2 tt0 -153.52 88.91 1.3 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.246 0.546 . . . . 0.0 110.043 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.44 -162.22 21.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.974 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -80.71 141.53 34.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.5 tp -85.47 117.12 24.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.671 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -111.07 131.86 54.73 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.75 153.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -97.07 109.07 21.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.616 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -114.21 -172.42 2.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.55 -32.96 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 111.17 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.61 -9.46 58.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.498 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.51 -170.65 18.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.581 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 96.9 m95 -68.01 125.97 28.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.061 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -142.13 150.87 41.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.4 mtp -79.84 142.45 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.94 137.36 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.85 141.8 28.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.733 ' HA ' HD12 ' A' ' 128' ' ' LEU . 15.8 p -65.01 -23.18 67.13 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -170.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.23 54.92 2.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.327 0.584 . . . . 0.0 110.037 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.6 m -112.53 158.45 19.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.769 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 65.94 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.152 0.908 . . . . 0.0 111.777 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.02 39.75 0.38 Allowed Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.595 HH22 HD22 ' A' ' 111' ' ' LEU . 23.4 mmt85 -125.13 158.8 32.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -129.31 -152.23 0.51 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -83.65 -12.53 55.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 110.694 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.859 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 10.7 mmpt? -81.69 131.85 35.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.25 118.06 12.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.75 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 16.4 p90 -73.45 169.15 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -60.27 -55.94 27.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.486 -170.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -121.13 103.31 42.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.727 -175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -87.33 2.17 6.9 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.658 2.905 . . . . 0.0 112.254 176.623 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.839 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 m -73.09 -4.64 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -170.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -68.95 -12.31 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.167 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.49 12.75 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 p -57.64 -33.7 68.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.324 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.89 -40.11 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.438 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.53 -47.52 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -61.45 -40.02 92.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.802 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.614 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.4 mmp_? -68.83 -22.7 64.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.748 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.09 9.17 42.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.383 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 61.08 36.81 18.2 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.063 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.0 m -115.84 168.73 9.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.883 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.34 -150.86 10.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.53 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.42 156.86 59.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.839 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 3.8 Cg_exo -76.81 114.19 3.79 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.945 2.43 . . . . 0.0 111.506 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.24 -40.95 67.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.65 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -155.42 152.06 28.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.909 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.75 HD22 ' HZ2' ' A' ' 71' ' ' TRP . 1.2 tt -148.9 126.46 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.81 -157.48 29.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.102 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.03 120.63 7.81 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.569 2.179 . . . . 0.0 111.965 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 44.4 t80 -134.58 118.66 17.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.9 mt 71.12 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.796 0.808 . . . . 0.0 111.5 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.0 mttt -86.38 65.22 8.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.229 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -74.28 -43.76 55.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 38.1 m-85 53.04 66.43 1.23 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.36 0.6 . . . . 0.0 111.697 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -123.5 80.32 54.2 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.165 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.56 ' HB2' ' O ' ' A' ' 120' ' ' SER . 50.1 Cg_endo -68.26 -10.98 30.61 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.99 2.46 . . . . 0.0 113.413 -171.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -79.1 -16.64 56.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.428 0.632 . . . . 0.0 109.73 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 m -111.08 -32.61 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.993 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.8 p -91.78 120.69 32.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.562 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.7 pt -105.5 149.72 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -108.41 123.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.9 m -99.66 144.58 28.57 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -115.25 146.25 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.94 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.73 -153.02 16.89 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.652 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.42 147.02 42.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.595 HD22 HH22 ' A' ' 66' ' ' ARG . 47.5 tp -54.27 109.2 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.118 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.38 -13.32 25.75 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.242 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -88.51 119.24 28.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 111.003 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.65 25.83 10.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.338 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -64.69 -40.77 95.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.582 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -127.79 93.41 3.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.236 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 32.8 m -114.4 139.08 49.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.345 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -114.23 145.42 41.74 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.358 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.43 122.11 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 46.6 t -69.39 128.72 37.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -107.32 32.82 4.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.91 0.862 . . . . 0.0 109.08 173.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -134.22 135.16 42.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.274 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -85.04 17.15 3.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.768 0.318 . . . . 0.0 111.708 -172.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mtp -106.49 22.92 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.316 0.579 . . . . 0.0 110.3 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 106.04 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.563 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 37.0 m-70 -77.87 127.02 31.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.898 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -58.46 135.93 57.38 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.239 0.337 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.9 tt -89.25 124.09 34.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.957 0.408 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -113.79 143.04 17.8 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.731 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.0 tp -127.63 118.65 24.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 69.3 m -105.87 110.09 22.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.266 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.7 m -99.67 153.06 19.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.45 93.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.084 0.469 . . . . 0.0 109.846 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 33.3 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.072 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.518 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 29' ' ' TYR . 5.1 m -84.95 135.8 33.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.81 -177.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 23.59 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.153 0.501 . . . . 0.0 111.69 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 27' ' ' SER . 83.0 m-85 -108.88 -17.46 13.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 174.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 11.6 m-20 -66.92 138.64 95.24 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 -178.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 24.2 Cg_exo -62.09 -25.01 77.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.331 2.687 . . . . 0.0 112.786 -176.224 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -90.66 -3.57 57.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.355 -177.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -74.04 136.42 43.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 58.8 mt-30 -113.55 120.44 40.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -174.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -145.59 157.91 43.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -149.6 167.47 26.26 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.1 mt -113.07 133.4 55.01 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -63.25 152.65 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.147 -177.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.908 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -71.74 70.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.511 0.672 . . . . 0.0 110.962 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.65 -22.58 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.58 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -174.93 -36.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 109.43 -178.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 35.8 t -153.47 159.06 42.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.546 177.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.92 16.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.841 0.353 . . . . 0.0 110.686 -178.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 15.2 t -129.67 6.44 5.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.445 0.64 . . . . 0.0 109.839 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 3.7 pt20 -153.78 118.29 4.92 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.458 178.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.09 -154.93 25.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.373 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -83.14 140.49 32.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 tp -81.81 118.63 23.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.889 0.376 . . . . 0.0 111.058 -178.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.97 133.11 55.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.625 172.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.97 148.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.012 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 60.7 t80 -88.18 106.07 17.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 -178.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.1 mt -89.21 174.0 8.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -53.71 -36.12 61.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.199 0.454 . . . . 0.0 111.272 -176.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 8.5 m-20 -65.9 -62.32 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.551 176.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.49 -160.17 27.56 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.045 -177.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.441 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -74.38 123.83 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 110.752 -177.017 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.42 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.9 m80 -125.33 140.46 52.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.646 -178.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.459 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 74.3 mtp -79.68 133.15 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.551 -178.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.87 127.89 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.8 140.4 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 1.17 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -97.91 38.13 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 109.648 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.9 m -107.69 149.5 28.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.526 -176.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 58.3 -106.36 0.3 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.521 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.6 17.2 13.88 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.711 ' HD3' ' HD1' ' A' ' 71' ' ' TRP . 20.9 mmt180 -99.8 152.42 20.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.039 0.447 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.7 t -136.3 -159.05 0.92 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -178.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.2 m -80.07 39.66 0.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.443 0.639 . . . . 0.0 110.81 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -153.95 150.61 28.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.355 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -91.07 134.96 34.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.237 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.711 ' HD1' ' HD3' ' A' ' 66' ' ' ARG . 94.2 m95 -94.87 175.52 6.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -76.65 6.0 6.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -119.76 77.52 21.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.088 0.47 . . . . 0.0 111.454 -179.194 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -87.42 -24.43 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.163 1.909 . . . . 0.0 113.521 -177.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.932 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.2 m -81.96 13.52 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.03 -15.96 62.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 111.276 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -100.28 22.81 10.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.849 0.357 . . . . 0.0 110.959 -178.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.702 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 11.7 p -56.11 -47.13 78.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.82 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -60.73 -32.7 71.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.095 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.14 -48.03 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.315 177.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.39 -40.53 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.522 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.94 -38.32 90.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.996 0.427 . . . . 0.0 110.273 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -30.75 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.628 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.87 6.93 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.418 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 64.7 33.92 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.612 -178.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.39 -171.05 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -144.45 13.46 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.48 173.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -87.82 154.32 52.84 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.809 0.338 . . . . 0.0 110.461 178.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.932 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 71.2 Cg_endo -77.24 135.56 15.24 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.091 2.527 . . . . 0.0 113.37 -175.166 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.39 -44.46 10.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.097 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t -144.92 149.36 35.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.439 -176.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 130' ' ' LEU . 64.2 tp -153.46 108.72 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 -179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.1 -155.1 16.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.226 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.24 67.39 5.23 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.21 2.607 . . . . 0.0 111.741 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 87.2 t80 -71.88 -40.75 68.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.933 -173.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 21.4 tp -145.14 171.54 14.37 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.689 -175.333 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 43.3 mtmt -132.65 99.26 4.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 m -78.05 -19.04 55.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.477 0.656 . . . . 0.0 109.887 176.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.413 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 0.2 OUTLIER 60.98 34.37 19.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.305 172.283 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.7 m -104.66 99.79 20.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.085 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 98.2 Cg_endo -87.48 55.22 2.82 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.905 2.403 . . . . 0.0 112.564 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -137.69 -73.15 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.701 179.725 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 t -88.16 12.07 14.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.43 . . . . 0.0 110.849 -178.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.0 p -90.87 143.17 26.99 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.33 140.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.554 0.692 . . . . 0.0 111.652 -177.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 120' ' ' SER . 49.8 mt -107.23 115.78 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.46 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.47 149.5 26.13 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.397 -174.341 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.44 162.8 17.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.179 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.93 -153.53 17.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.328 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.32 139.35 31.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -52.6 111.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.018 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.48 -14.29 18.02 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -98.37 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.326 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -87.18 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.321 0.582 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 m -82.64 -68.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.869 -178.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -106.21 96.62 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.647 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.8 m -116.48 133.33 56.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m -112.57 139.94 47.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.59 0.233 . . . . 0.0 110.93 -176.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -61.3 133.37 55.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB2' HG13 ' A' ' 106' ' ' ILE . 39.3 t -87.93 117.75 27.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.296 0.569 . . . . 0.0 111.214 -175.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -90.75 -4.87 56.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.487 173.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.49 122.11 21.65 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.29 -34.98 73.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.587 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.77 40.7 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.731 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 t -76.74 111.68 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -74.15 119.24 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -76.16 134.6 39.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -174.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.76 115.8 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.018 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.88 129.99 9.96 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.015 -178.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -118.53 132.06 56.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.9 m -119.57 110.72 17.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 27.5 m -103.5 149.23 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.732 0.301 . . . . 0.0 110.312 -179.399 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.9 136.38 56.79 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 177.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.377 -0.82 . . . . 0.0 109.112 175.056 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -125.09 161.11 27.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.789 -178.134 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.689 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -73.8 15.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.717 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.689 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 5.2 m-85 -119.94 8.83 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.419 174.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 26.3 m-20 -86.31 137.4 34.73 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.233 176.652 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.6 Cg_exo -59.12 -23.87 71.07 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.605 2.87 . . . . 0.0 114.047 -170.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -119.33 22.79 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.574 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -79.2 113.7 17.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.64 139.42 38.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.178 0.513 . . . . 0.0 111.119 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -146.21 157.44 43.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.364 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -154.86 166.85 32.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 110.064 178.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.8 mt -114.36 119.59 37.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.849 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.514 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 12.5 p -59.94 126.81 28.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 22.4 mtp180 -44.22 -70.3 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 124.078 0.861 . . . . 0.0 112.48 -167.445 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t 66.66 -60.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.339 0.399 . . . . 0.0 110.817 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -127.49 -49.71 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.899 0.381 . . . . 0.0 109.991 176.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -143.96 174.1 11.14 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.727 -177.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -30.82 62.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.681 0.276 . . . . 0.0 111.054 -174.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 84.5 m -107.98 22.12 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.456 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -150.28 93.75 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.243 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . -170.29 -161.11 20.25 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.211 -177.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 69.1 mt-30 -90.65 132.17 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.887 0.375 . . . . 0.0 110.226 -176.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.53 127.93 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.296 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.39 134.94 54.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.615 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.58 151.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.138 177.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -92.05 106.33 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.709 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 105' ' ' ILE . 78.9 mt -96.06 -173.47 2.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.71 177.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 37.1 ttmt -58.46 -47.27 84.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.334 . . . . 0.0 110.433 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 4.4 m-20 -65.9 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.902 178.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.61 -160.67 26.11 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.477 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.3 m95 -65.44 127.98 34.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.465 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.8 m80 -137.83 146.41 43.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.26 178.765 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.7 mtp -80.36 152.97 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 -177.313 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -102.15 130.59 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.403 177.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.16 139.45 33.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.811 ' HB2' ' HD2' ' A' ' 126' ' ' HIS . 6.5 m -70.44 -4.02 20.52 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -79.84 8.75 6.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.112 0.482 . . . . 0.0 110.177 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 106' ' ' ILE . 14.4 t -83.83 153.47 24.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.987 -174.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 54.9 33.29 19.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.516 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.52 30.4 68.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.11 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -109.17 172.48 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -139.49 -144.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.093 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.471 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 40.6 m -76.22 -6.78 52.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.62 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 71.6 mmtt -96.38 134.18 39.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -73.45 145.84 45.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.357 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.662 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 25.4 p90 -87.39 159.78 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 110.282 176.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -73.98 -25.7 60.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.986 -164.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -119.21 94.13 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.238 -176.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.6 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 4.7 Cg_exo -76.8 -13.67 17.68 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.927 2.418 . . . . 0.0 112.465 177.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.6 p -72.17 2.62 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -175.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.96 -14.08 61.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.076 0.465 . . . . 0.0 110.176 172.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 21.11 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.685 -177.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.42 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.9 m -60.66 -32.89 72.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.707 0.289 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 72.3 mmtt -64.15 -32.4 73.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 177.274 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.97 -51.75 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.0 m -58.94 -36.7 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.476 178.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.14 -36.33 83.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 178.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 30.1 mmm180 -65.48 -26.75 68.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.515 178.202 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.19 4.19 53.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.972 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.66 32.53 18.42 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.582 -178.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.6 m -98.83 178.55 4.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.95 -162.28 32.04 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.001 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.06 154.6 86.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.606 0.241 . . . . 0.0 110.913 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.8 Cg_exo -74.51 117.07 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.653 2.235 . . . . 0.0 111.652 178.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tt -81.5 -43.82 18.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.5 -178.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.443 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 12.2 p -146.04 148.5 32.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.887 -177.116 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.872 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -147.14 89.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -178.654 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.73 -169.59 25.26 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.761 -177.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 24.5 Cg_exo -64.04 135.46 47.64 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.407 2.071 . . . . 0.0 112.205 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.603 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 68.5 t80 -127.5 91.9 3.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.802 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.9 mt 62.83 -171.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.156 178.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -133.89 100.59 4.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.041 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 m -79.06 -13.89 59.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.269 -179.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 74.5 m-85 63.18 58.71 1.38 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.511 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 p -117.57 73.63 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.834 0.349 . . . . 0.0 111.004 177.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.861 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . 1.8 Cg_endo -81.42 51.51 3.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.438 2.758 . . . . 0.0 112.484 -174.461 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -163.89 -49.97 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -31.42 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.658 177.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' MET . 55.0 p -86.33 142.1 28.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.896 -178.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 52' ' ' LEU . 32.6 pt -115.44 155.5 16.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.82 178.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' SER . 80.4 mt -123.15 113.78 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.19 176.547 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 59.7 m -93.26 154.65 17.89 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.0 156.42 38.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.76 -116.23 5.17 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.588 175.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -89.8 128.56 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.532 0.333 . . . . 0.0 111.69 -170.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.56 115.13 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.008 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.96 -14.74 28.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.6 t -92.01 112.08 23.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.902 0.382 . . . . 0.0 110.25 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.8 m-85 -100.4 24.51 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.225 178.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.4 p -80.25 -33.57 37.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -178.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.48 83.09 1.95 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.165 0.507 . . . . 0.0 109.831 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.0 m -124.99 143.19 51.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.351 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 t -120.29 152.6 37.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.445 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -67.05 141.89 57.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.9 t -61.97 97.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.905 -176.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -66.65 -31.71 72.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.471 0.653 . . . . 0.0 109.689 177.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -79.47 124.3 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.711 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.861 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 7.0 p-10 -77.23 -15.02 59.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 -178.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 87.0 mtp -88.06 57.9 4.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.172 0.51 . . . . 0.0 110.025 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.4 t -91.75 118.28 30.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.811 ' HD2' ' HB2' ' A' ' 61' ' ' SER . 3.1 p-80 -85.4 122.03 28.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.367 170.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 147.72 51.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.64 -173.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' A' ' 92' ' ' LEU . 9.9 tt -93.72 129.57 40.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.642 -178.371 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.603 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.54 129.77 8.61 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.308 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.872 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.8 tp -113.15 131.27 55.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.22 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.443 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 97.6 m -120.26 109.78 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.848 0.356 . . . . 0.0 110.635 179.025 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 9.0 m -102.3 144.34 30.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.32 101.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 174.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.701 ' N ' ' HG ' ' A' ' 115' ' ' SER . 94.5 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.621 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 16.9 p -149.76 155.63 40.47 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.516 -177.364 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.26 7.66 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.204 0.526 . . . . 0.0 110.55 176.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.621 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 97.2 m-85 -86.93 -15.37 39.12 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.674 175.283 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 21.1 m-20 -79.1 124.44 84.59 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.283 177.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.53 -23.75 74.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.993 2.462 . . . . 0.0 113.143 -172.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -112.04 15.81 20.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.217 -178.015 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 66.5 t80 -56.92 128.91 39.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.473 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.6 mm100 -83.45 99.7 10.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.027 0.441 . . . . 0.0 111.189 -174.479 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.09 150.36 45.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.079 177.485 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -145.77 145.84 30.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.419 -179.017 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -99.93 131.42 45.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -62.33 137.05 58.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 56.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.369 0.604 . . . . 0.0 110.954 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -72.15 -57.0 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.536 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -108.34 -35.78 6.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.521 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -163.14 -179.83 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.754 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.01 -34.94 73.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.782 -178.126 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.741 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.4 m -104.8 29.41 6.27 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.154 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -153.51 107.75 3.07 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 111.213 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.48 -158.36 26.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.636 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -81.47 145.16 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -85.37 111.74 20.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -178.094 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 49.0 mt-10 -106.8 126.39 52.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.89 152.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.204 -179.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 84.4 t80 -89.47 98.04 11.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.1 tp -88.61 -175.75 5.04 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 10.4 mtmp? -68.59 -19.74 64.47 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.145 -177.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' HD23 ' A' ' 52' ' ' LEU . 5.1 p-10 -93.59 -7.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.15 -169.53 15.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.736 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.24 124.05 23.19 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.978 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -148.11 157.58 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 177.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.9 mtp -83.48 137.95 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.42 133.02 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 38.1 t -92.84 143.99 25.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.145 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -66.24 -15.1 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.518 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 106' ' ' ILE . 10.5 mm100 -76.13 -5.25 45.82 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.748 178.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -60.79 150.69 31.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -175.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 64.51 19.21 11.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.801 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.64 54.97 16.3 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.377 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -128.98 153.62 47.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 p -88.5 155.61 19.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.784 175.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 94' ' ' PRO . 18.6 m -78.52 76.28 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.034 0.445 . . . . 0.0 111.345 -176.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -130.58 143.74 50.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.0 121.99 18.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.291 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -78.19 167.49 21.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.409 -174.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -66.89 -46.73 73.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.867 -177.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.51 103.12 16.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.409 -177.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.33 2.92 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 123.225 2.617 . . . . 0.0 112.394 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -64.37 -13.49 51.01 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -15.72 63.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 0.0 110.064 177.011 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.77 14.66 27.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 p -57.72 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.351 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.58 -33.55 75.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.334 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.13 -47.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.863 177.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.5 m -62.01 -41.24 97.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.052 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.25 -34.95 79.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.92 -37.35 86.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.926 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -91.6 6.5 45.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 m120 60.09 45.7 11.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.47 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 -172.23 2.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.59 -134.18 6.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.514 178.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.89 150.48 69.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.798 0.332 . . . . 0.0 111.146 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 56.8 Cg_endo -78.44 101.73 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.85 2.367 . . . . 0.0 111.487 175.597 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD12 HD21 ' A' ' 133' ' ' LEU . 1.9 tt -66.1 -47.08 75.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.378 -174.566 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m -151.32 142.75 23.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -176.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 130' ' ' LEU . 10.4 tt -134.61 141.8 46.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.058 177.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.51 -139.62 7.0 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HB3' ' HB3' ' A' ' 68' ' ' SER . 93.9 Cg_endo -83.17 120.23 2.91 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.481 2.12 . . . . 0.0 112.107 179.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.013 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 20.2 t80 -106.4 82.61 1.76 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.115 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt 65.77 178.99 0.2 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.901 -179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -125.39 93.18 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.861 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -79.47 -10.89 59.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.737 -175.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.598 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 4.0 m-85 59.47 67.47 0.89 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -121.5 58.68 8.51 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.385 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 1.8 Cg_endo -81.01 18.73 1.25 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.256 2.637 . . . . 0.0 111.853 -174.149 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -123.77 14.67 9.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.853 0.835 . . . . 0.0 108.805 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -145.85 -30.02 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 56.9 p -72.02 130.85 41.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.946 0.403 . . . . 0.0 111.436 -178.241 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.3 pt -114.54 154.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.506 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.551 HD11 ' HB2' ' A' ' 62' ' ' GLN . 8.6 mt -122.21 123.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.695 177.108 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 55.2 m -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.16 145.34 46.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.8 11.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.748 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -85.0 146.34 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.955 -175.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.03 111.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 178.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.33 -11.31 26.33 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.354 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.8 t -93.88 116.55 29.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.411 0.624 . . . . 0.0 110.835 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -102.89 22.08 14.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.701 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 19.4 m -69.73 -20.54 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.518 -174.066 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -148.87 103.13 3.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.963 0.411 . . . . 0.0 110.184 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 35.0 m -123.96 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.378 -177.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.3 m -125.25 144.05 50.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.871 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.59 130.33 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 t -94.65 133.85 37.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -172.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 8.8 tpt180 -108.78 48.12 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 125' ' ' CYS . 6.9 t30 -113.13 112.61 24.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.949 -178.24 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.85 -39.98 87.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.847 -173.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 88.2 mtp -97.41 37.27 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -73.38 106.27 5.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.744 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.78 118.92 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.453 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 128.69 37.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 tt -76.18 125.25 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 1.013 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.91 139.45 13.91 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.176 -178.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 92' ' ' LEU . 53.1 tp -124.03 126.05 45.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.1 m -107.31 104.62 14.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.231 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.741 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 34.0 m -100.13 140.86 33.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 90' ' ' LEU . 94.9 mt -67.35 146.34 54.18 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.424 ' HG2' ' SG ' ' A' ' 44' ' ' CYS . 25.6 mt-10 . . . . . 0 C--N 1.316 -0.857 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.193 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.642 ' N ' ' HG ' ' A' ' 115' ' ' SER . 92.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 29' ' ' TYR . 48.9 m -120.34 161.55 20.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.117 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.501 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -76.75 21.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.41 0.624 . . . . 0.0 110.759 175.839 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.501 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 3.1 m-85 -110.81 -11.34 14.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 174.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.41 136.33 60.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.28 -179.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.96 -3.86 14.55 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.94 2.427 . . . . 0.0 112.107 -176.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.41 4.96 26.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.013 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -77.96 103.73 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 9.8 mm-40 -91.76 129.45 37.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.494 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 149.1 31.79 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 178.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD11 ' A' ' 84' ' ' LEU . 35.8 ptt180 -144.28 159.66 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.201 0.524 . . . . 0.0 110.097 -179.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.5 mt -97.85 120.66 38.63 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 172.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -52.98 154.35 2.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.806 0.691 . . . . 0.0 111.523 -173.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HD2' ' HD3' ' A' ' 43' ' ' LYS . 16.7 mmm180 -42.61 -64.2 0.65 Allowed 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.238 0.961 . . . . 0.0 110.545 -177.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 t 50.25 -91.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.979 0.8 . . . . 0.0 112.231 173.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.99 -42.32 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.344 0.592 . . . . 0.0 109.409 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -153.36 141.08 20.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' HD2' ' A' ' 39' ' ' ARG . 53.0 mtmt -84.87 12.55 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -169.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 29.3 t -112.07 3.16 17.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.762 0.792 . . . . 0.0 109.192 171.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -155.39 87.15 1.1 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.039 175.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.4 -158.51 8.97 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.36 -174.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -79.98 134.52 36.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.123 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -72.61 107.38 5.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -112.05 121.14 44.16 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.239 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.13 148.92 10.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.645 -176.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -97.31 103.57 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.177 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.2 -179.5 5.66 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 173.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 4.7 ttpm? -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.503 0.668 . . . . 0.0 109.571 177.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.37 7.29 36.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.513 -174.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.06 -170.76 13.45 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.324 174.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 98.5 m95 -80.62 129.64 34.64 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 122.327 0.251 . . . . 0.0 110.381 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -139.96 141.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.472 177.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 mtm -86.16 136.68 33.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.1 t -82.84 126.04 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.7 143.55 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -60.83 -20.2 61.26 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.078 -176.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -91.18 42.45 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 152.63 20.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 54.68 -137.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.82 26.54 22.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.833 174.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -92.9 110.51 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.877 0.37 . . . . 0.0 110.262 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.488 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 18.2 m -70.94 165.12 24.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.004 175.243 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -74.51 64.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.383 0.611 . . . . 0.0 111.768 -177.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 70' ' ' GLN . 40.7 ttmt -158.11 165.15 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.697 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 9.8 tt0 -78.5 139.35 38.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 175.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.488 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 72.2 m95 -110.3 155.5 22.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.252 -178.045 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -83.34 40.51 0.72 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -169.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -162.74 74.05 2.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.968 0.413 . . . . 0.0 110.206 174.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.82 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.1 Cg_endo -83.81 -9.96 9.66 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.79 2.327 . . . . 0.0 111.71 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 1.017 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 43.4 m -72.28 -5.64 37.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.743 -175.447 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -72.44 -13.78 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.078 175.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.24 26.56 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 11.9 p -56.52 -53.46 57.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.898 -177.071 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 40.8 ttmt -63.13 -27.98 69.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.345 -176.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.5 -50.12 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.68 -33.99 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.39 178.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.5 mm-40 -65.91 -37.92 87.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.887 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.4 mmm180 -65.5 -23.18 66.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.949 0.404 . . . . 0.0 110.674 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 36' ' ' ARG . 93.6 mt -101.94 10.56 39.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.545 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 58.65 44.18 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.78 0.8 . . . . 0.0 110.862 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -115.1 169.7 8.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.698 174.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.72 -140.23 1.74 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.756 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.83 150.74 86.37 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 1.017 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.1 Cg_endo -79.91 115.98 3.37 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.876 2.384 . . . . 0.0 112.007 177.49 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 133' ' ' LEU . 88.0 mt -90.47 -45.84 8.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.018 -173.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -133.53 141.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 0.0 111.588 -172.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 74' ' ' PRO . 4.8 mt -139.68 84.05 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.068 177.308 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.67 174.93 32.93 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 119.289 -0.728 . . . . 0.0 111.612 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.46 123.57 13.1 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.488 2.125 . . . . 0.0 111.796 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -98.41 -76.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.538 -172.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 79.0 mt -137.3 170.09 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.461 0.648 . . . . 0.0 111.718 -176.065 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -113.54 96.49 5.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.164 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.2 p -108.19 36.93 2.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.953 -174.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 64.38 103.6 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.328 0.585 . . . . 0.0 110.159 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.501 ' HB ' ' OG ' ' A' ' 104' ' ' SER . 19.0 p -128.88 67.64 78.08 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -87.72 -11.97 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.084 1.856 . . . . 0.0 111.939 176.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -153.59 -32.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.558 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -61.25 -30.73 70.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.733 -172.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.501 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 56.4 p -95.15 124.53 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.157 0.503 . . . . 0.0 111.118 -175.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.2 pt -104.53 142.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.563 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.6 mt -105.86 118.3 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.2 t -94.88 139.66 31.0 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.809 -177.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -109.9 156.72 20.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.601 -175.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.34 -129.76 9.21 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.669 178.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -114.38 143.98 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -175.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.2 114.85 1.61 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.801 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.65 10.42 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.644 -177.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.2 t -94.84 113.3 25.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.78 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.8 19.99 19.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.251 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.642 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 15.4 m -67.73 -34.01 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.687 -175.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -141.28 94.05 2.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.143 0.497 . . . . 0.0 110.304 -179.283 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -117.08 142.18 47.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.7 m -121.99 155.83 34.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.828 0.347 . . . . 0.0 111.344 -173.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -79.7 134.15 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 -177.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -91.14 128.33 36.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 13.0 tpt85 -98.2 5.13 48.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.466 -178.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -106.48 129.1 54.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.11 56.3 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.647 0.737 . . . . 0.0 110.534 -174.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -124.54 11.72 8.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 174.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.41 138.58 31.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.179 -178.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -105.55 130.43 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -65.42 133.37 51.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.901 0.381 . . . . 0.0 110.524 -178.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.92 124.48 23.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.28 133.14 11.31 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.536 -175.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.474 ' HB3' HD21 ' A' ' 37' ' ' LEU . 67.3 tp -117.0 116.04 26.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.2 m -101.85 109.13 20.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.016 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.84 154.9 18.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 90' ' ' LEU . 19.0 mt -60.67 113.14 2.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.009 0.433 . . . . 0.0 110.085 175.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.447 ' OE1' ' HB3' ' A' ' 44' ' ' CYS . 36.5 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.075 -174.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 94.5 mt . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.002 0.43 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 29.8 m -90.31 151.59 21.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.48 22.48 0.17 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.05 0.452 . . . . 0.0 112.069 -176.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -108.29 -15.69 14.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.963 172.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.05 136.75 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 178.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.74 -11.5 21.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.486 2.124 . . . . 0.0 111.459 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.24 -9.87 55.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.242 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -80.63 134.27 35.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.175 -178.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -121.03 132.56 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.022 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.09 157.44 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.056 178.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -139.3 145.78 39.54 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.67 125.5 49.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -61.37 128.31 35.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.3 -18.11 56.94 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.762 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t 30.64 -86.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.897 1.279 . . . . 0.0 113.814 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -105.6 -41.69 5.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.252 0.549 . . . . 0.0 109.926 177.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 13.6 t -147.56 146.45 29.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -57.28 -22.84 44.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -167.131 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.803 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 79.7 m -113.37 26.11 10.71 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.607 -177.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 1.6 pt20 -155.27 100.21 2.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.152 175.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -173.88 -156.72 13.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.554 -175.062 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -75.87 136.79 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.191 -0.299 . . . . 0.0 110.191 -177.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -89.82 112.17 23.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 -178.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.09 128.87 55.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.45 151.37 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -94.55 112.15 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.892 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 105' ' ' ILE . 84.3 mt -94.04 -168.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.994 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -61.56 -27.26 68.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.1 -68.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.841 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.29 -158.35 9.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.122 -178.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.43 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.1 m95 -85.07 130.08 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.854 0.359 . . . . 0.0 110.466 -178.088 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -139.14 151.56 46.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.025 0.44 . . . . 0.0 110.971 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 75.4 mtp -85.52 131.47 34.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.628 -175.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.72 126.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.13 142.83 27.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -80.07 32.85 0.27 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.548 -178.137 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -120.99 24.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.434 174.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.9 m -92.78 157.26 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -175.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 60.57 14.4 4.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.176 175.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.28 66.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.998 -177.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.474 HH12 HD22 ' A' ' 111' ' ' LEU . 23.1 mmt85 -107.74 136.97 46.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 t -76.24 154.97 34.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 -177.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -77.62 72.37 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 111.56 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -144.46 161.67 38.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -63.13 105.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.277 0.361 . . . . 0.0 110.199 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -77.47 136.49 38.36 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 58.03 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 111.265 -172.21 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -169.58 69.55 0.65 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.643 172.651 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.47 -14.78 17.93 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.042 1.828 . . . . 0.0 111.665 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -70.18 -16.72 63.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.252 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.34 -35.21 67.35 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 170.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.66 10.88 38.82 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.238 -175.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.92 -35.35 72.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.72 -29.78 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.89 -50.5 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 87' ' ' GLY . 80.6 m -56.89 -42.14 79.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.133 177.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.67 -49.64 75.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.872 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -64.19 -28.13 69.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.392 -178.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mp -90.92 9.98 28.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.937 -178.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.77 42.35 8.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.845 0.831 . . . . 0.0 110.413 177.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.01 168.27 13.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.291 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 81' ' ' CYS . . . -75.55 -179.82 45.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.847 177.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.08 156.05 51.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.818 -175.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.81 120.49 3.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 113.383 -177.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 133' ' ' LEU . 72.4 mt -76.0 -54.03 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.832 177.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.8 m -143.03 159.82 41.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 -174.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 130' ' ' LEU . 46.1 tp -144.6 126.86 15.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.212 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.06 -148.16 12.39 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.278 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.2 123.22 7.61 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.285 1.99 . . . . 0.0 112.035 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 45.2 t80 -105.01 -53.73 2.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.353 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 97.4 mt -139.74 173.35 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.025 -179.687 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.0 86.98 2.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.842 0.83 . . . . 0.0 110.026 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.77 -23.23 63.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.23 -176.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 1.3 t80 57.69 35.23 25.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.87 170.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 m -110.95 96.58 30.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.766 -177.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 12.7 Cg_exo -70.7 67.89 2.26 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.459 2.772 . . . . 0.0 112.525 -178.56 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.706 ' HG3' ' HE1' ' A' ' 119' ' ' HIS . 63.1 tt0 -174.18 -50.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.559 177.22 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -70.4 -36.96 74.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.1 p -85.78 143.69 28.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 52' ' ' LEU . 29.8 pt -127.7 157.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.072 -177.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 59.4 mt -114.47 121.0 65.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 78.2 m -98.41 151.65 20.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.196 -176.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -126.31 160.25 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.17 -129.18 7.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.82 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -104.05 151.94 22.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.474 HD22 HH12 ' A' ' 66' ' ' ARG . 43.1 tp -56.34 104.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.35 0.406 . . . . 0.0 110.883 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.57 -5.76 26.29 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.785 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.7 t -101.19 118.78 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.151 0.5 . . . . 0.0 110.289 177.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 80.7 m-85 -105.72 28.26 7.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 27.8 m -57.8 -33.12 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -174.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -147.11 114.27 6.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.048 0.452 . . . . 0.0 109.962 176.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 56.6 m -120.07 151.18 39.41 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -116.04 143.61 45.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.042 0.448 . . . . 0.0 111.5 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.706 ' HE1' ' HG3' ' A' ' 102' ' ' GLN . 13.9 t60 -61.61 119.93 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.756 176.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -97.41 109.91 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.958 0.408 . . . . 0.0 110.856 -176.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.53 -6.61 58.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.362 0.601 . . . . 0.0 109.574 173.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -63.49 125.64 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.515 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.26 -22.3 52.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.3 ttt -77.33 81.76 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.299 0.571 . . . . 0.0 109.532 174.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.7 t -141.29 135.68 30.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.717 -178.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -117.69 125.66 51.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.9 m -65.72 127.68 32.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.308 . . . . 0.0 110.66 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.98 128.57 36.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.957 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.26 132.03 8.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.028 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 92' ' ' LEU . 58.1 tp -109.81 127.38 54.63 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.9 m -105.69 91.29 3.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 -177.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 19.8 m -87.25 159.35 18.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.068 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.553 HD12 ' HG ' ' A' ' 90' ' ' LEU . 4.0 mp -69.27 85.86 0.4 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 8.4 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.301 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -114.25 163.85 14.69 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.978 -175.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -77.54 13.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.701 -176.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.79 -9.86 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.571 173.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.31 142.89 55.16 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.508 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.88 -24.66 24.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 123.232 2.621 . . . . 0.0 113.413 -172.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -109.16 16.99 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -75.34 123.69 25.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.188 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.87 119.98 37.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.631 -175.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.22 160.88 39.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 179.364 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.62 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -157.67 173.93 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.282 179.319 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.12 138.91 51.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -60.65 146.09 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.547 ' HG3' ' H ' ' A' ' 40' ' ' SER . 16.5 ptt85 -47.1 -59.81 2.89 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.45 0.469 . . . . 0.0 111.596 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.547 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 24.4 t 57.53 -100.7 0.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 176.064 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.73 -37.74 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.2 t -153.66 143.26 21.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.259 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.46 8.54 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -169.65 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 43.5 t -106.06 -8.36 17.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.33 0.586 . . . . 0.0 110.64 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.574 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.6 OUTLIER -148.89 96.84 2.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 0.0 110.05 179.129 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.34 -157.61 9.32 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.926 -175.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -80.81 139.09 36.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.38 120.3 24.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.963 0.411 . . . . 0.0 111.293 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.62 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 47.7 mt-10 -110.55 127.42 55.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.536 174.302 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 114' ' ' PHE . 30.6 m -119.53 152.0 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 179.062 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -93.09 112.43 24.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.881 -177.457 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -103.12 -172.89 2.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mptp? -59.17 -42.13 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 0.0 110.558 -179.201 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.12 -49.04 68.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.76 -152.12 22.96 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.841 -176.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.8 132.1 35.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 -177.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -136.39 148.49 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.392 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.1 mtp -79.9 132.47 36.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.221 179.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.37 128.67 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.935 0.398 . . . . 0.0 110.448 178.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.81 151.31 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 77.5 p -65.68 -26.74 67.91 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -169.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.89 10.69 3.91 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.035 0.384 . . . . 0.0 112.035 -176.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -66.48 137.11 56.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 62.19 10.83 4.01 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.939 178.333 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 28.99 23.65 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.264 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 61' ' ' SER . 41.9 mmt-85 -70.99 129.65 39.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.171 0.486 . . . . 0.0 109.994 173.292 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -105.3 -174.88 2.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.0 -178.089 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 t -76.97 48.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.44 0.638 . . . . 0.0 110.534 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -164.19 127.81 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.708 178.114 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.484 ' OE1' ' HA ' ' A' ' 91' ' ' SER . 9.7 tt0 -60.1 127.98 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.901 0.381 . . . . 0.0 110.822 -178.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -70.9 150.53 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.61 -15.33 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -169.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -129.4 94.18 33.6 Favored Pre-proline 0 C--N 1.326 -0.433 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.753 176.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -87.88 -5.74 6.83 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.942 2.428 . . . . 0.0 111.092 170.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.831 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 52.7 m -75.09 -8.9 57.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.178 -173.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.33 -27.22 45.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 177.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.47 25.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.576 -175.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.484 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 63.4 m -53.96 -39.41 65.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.535 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.633 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.36 -51.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.34 -34.6 78.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.636 -178.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -54.61 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -63.99 -22.12 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.499 -175.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -86.38 3.26 44.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.828 179.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t30 63.3 51.93 2.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.843 0.83 . . . . 0.0 110.207 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.9 m -121.55 -80.4 0.62 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.534 178.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.17 -132.22 2.75 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.256 -177.058 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.7 m-20 -79.12 151.72 75.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.529 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.831 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 9.7 Cg_endo -86.74 105.31 0.68 Allowed 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.162 2.575 . . . . 0.0 111.163 173.78 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.98 -46.04 22.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.229 -174.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.484 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 14.5 m -140.09 144.01 36.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.776 -175.434 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.589 ' HG ' HD13 ' A' ' 130' ' ' LEU . 2.5 tt -146.67 85.29 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.55 -165.01 15.68 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.465 -177.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.51 111.03 1.98 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.796 2.33 . . . . 0.0 111.863 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.902 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.4 t80 -98.74 -62.99 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.404 -174.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.631 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 92.3 mt -123.35 -174.14 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.779 -176.307 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.45 81.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -77.81 -34.17 52.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.472 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 50.21 61.81 3.0 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -115.61 87.03 16.49 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 171.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.79 55.66 3.34 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.649 2.899 . . . . 0.0 113.085 -172.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -147.08 -48.95 0.18 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.378 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m -90.32 -8.04 51.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.945 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.8 p -92.99 140.81 29.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -125.67 154.65 34.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 177.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.44 125.56 71.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.21 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.4 m -95.18 124.81 39.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -174.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.18 153.57 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.4 -149.49 16.94 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.971 -179.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -93.5 140.33 29.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.9 tp -51.34 120.62 5.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.173 -178.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.85 -12.14 41.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.101 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -101.01 113.75 27.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CE2' HG11 ' A' ' 50' ' ' VAL . 85.9 m-85 -101.02 40.0 1.33 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.5 p -52.19 -60.52 3.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.919 -174.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -146.9 84.27 1.6 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 45.4 m -77.6 132.86 38.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.55 177.53 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -99.87 157.97 16.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 111.008 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -60.38 128.74 38.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.531 177.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -65.67 118.23 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -123.81 68.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -127.93 152.17 48.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.935 -172.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.44 -36.77 45.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.991 175.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.5 ttp -135.22 125.13 25.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.11 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.3 t -168.03 137.61 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -107.41 166.74 10.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.687 -175.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 m -77.98 129.02 34.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.41 123.38 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.902 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -111.96 118.54 4.77 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.323 -176.88 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.589 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.1 tp -103.03 117.42 34.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.037 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.0 m -100.16 103.33 14.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 81.7 m -89.14 154.83 19.84 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.71 91.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 111.199 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.665 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 38.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 114' ' ' PHE . 94.3 mt . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.6 m -90.05 153.55 20.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.733 -175.694 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.492 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -78.18 35.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 111.195 178.356 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 27' ' ' SER . 31.8 m-85 -134.07 1.94 3.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.039 171.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 m-20 -88.77 139.04 29.33 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 17.3 Cg_exo -66.38 -26.14 48.42 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.421 2.747 . . . . 0.0 113.329 -171.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -92.79 -1.49 56.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.996 -177.452 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -82.02 128.65 34.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.058 -179.451 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -111.0 138.55 47.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -149.16 151.87 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 7.5 ptp180 -145.49 170.68 15.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.881 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.2 mt -111.14 143.35 42.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.605 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 p -63.49 161.03 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.358 0.412 . . . . 0.0 110.829 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -54.62 -61.89 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 t 53.17 -99.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 123.816 0.697 . . . . 0.0 111.014 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -126.49 -15.34 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.513 0.673 . . . . 0.0 109.749 177.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.655 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 40.7 t -167.68 139.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.22 -176.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 50.0 mtpt -68.45 -10.89 58.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.082 -179.188 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 12.8 t -98.92 5.0 47.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 111.022 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 1.6 pp0? -158.87 116.89 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.338 0.59 . . . . 0.0 110.809 177.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.83 -163.07 34.03 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.914 -177.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.98 142.94 41.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.1 tp -81.13 119.41 23.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 -176.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.711 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 44.5 mt-10 -111.59 126.2 54.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 172.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.15 150.96 13.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.162 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -89.21 107.98 19.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD11 HD13 ' A' ' 105' ' ' ILE . 93.4 mt -88.28 -173.8 4.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.31 176.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -61.78 -35.72 78.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.872 0.368 . . . . 0.0 111.095 -175.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -93.97 -32.2 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.09 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 119.718 -1.229 . . . . 0.0 113.531 -177.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.46 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.8 m95 -78.03 135.55 37.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.45 -176.478 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -141.25 142.95 33.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.698 176.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.711 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 55.8 mtm -77.92 141.55 38.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 -178.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.94 132.16 35.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 110.616 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.5 t -86.38 136.29 33.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 t -76.48 12.76 1.14 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -171.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.417 HE21 ' ND2' ' A' ' 122' ' ' ASN . 20.7 tt0 -117.39 39.75 3.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.952 0.882 . . . . 0.0 109.491 176.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.7 m -99.08 162.05 13.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.217 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 60.9 -91.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.523 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.92 37.48 1.34 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 176.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -116.57 167.36 11.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 t -152.18 -154.83 0.56 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.1 m -78.34 58.27 2.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -135.25 159.27 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.404 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -129.26 133.01 47.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.188 0.518 . . . . 0.0 111.342 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -106.78 153.8 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.658 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -84.5 42.28 0.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.47 83.25 5.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -92.09 7.51 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.066 2.51 . . . . 0.0 111.722 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -59.89 -24.25 64.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.218 -173.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 12.4 mm100 -53.98 -27.25 30.34 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.9 35.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 111.699 -176.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -53.86 -55.45 26.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.567 -178.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -64.24 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -175.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.85 -59.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.819 -176.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.33 -39.33 90.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -67.62 -47.64 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.303 -175.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -73.52 -20.16 60.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 31.8 tp -67.81 -56.29 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 175.429 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 84' ' ' LEU . 9.6 t30 158.12 -33.37 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.092 0.87 . . . . 0.0 110.586 -175.067 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 133' ' ' LEU . 57.9 m -85.08 179.29 7.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.229 -169.43 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.06 -132.16 4.34 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.757 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.68 156.93 88.14 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.36 136.38 9.93 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.346 2.697 . . . . 0.0 112.341 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 133' ' ' LEU . 73.1 mt -91.44 -49.58 6.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.353 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p -143.0 145.35 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -178.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tt -141.85 131.97 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.91 -163.78 32.42 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.89 99.68 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.475 2.117 . . . . 0.0 111.632 177.345 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.868 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 59.9 t80 -86.63 -59.63 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.314 -177.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.6 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 82.8 mt -125.01 161.14 27.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.65 178.078 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -116.51 68.55 0.73 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.57 0.7 . . . . 0.0 110.447 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.5 m -66.62 -29.82 69.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.19 177.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.3 t80 48.65 62.15 2.71 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.743 0.652 . . . . 0.0 111.101 175.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 p -123.23 85.05 51.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.565 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 39.6 Cg_exo -58.08 -24.08 64.25 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.133 2.555 . . . . 0.0 112.514 -178.344 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.561 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 53.5 tt0 -67.11 -31.69 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.882 179.652 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -102.0 -33.7 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.7 p -87.2 156.21 19.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.483 0.658 . . . . 0.0 111.874 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 52' ' ' LEU . 36.2 pt -127.09 152.64 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.633 178.522 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.16 134.95 59.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.373 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -118.61 158.58 25.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -174.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -124.97 152.4 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.627 -177.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.7 -152.43 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.474 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.79 133.95 36.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.7 tp -52.49 100.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.522 0.514 . . . . 0.0 111.715 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 130.88 -20.68 4.78 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.0 t -107.45 115.62 30.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.893 0.378 . . . . 0.0 110.459 -178.494 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 91.3 m-85 -86.57 53.33 2.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.67 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.4 p -71.55 -31.54 67.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.779 -174.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -151.0 95.79 2.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.976 0.417 . . . . 0.0 110.451 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 2.9 m -115.25 162.01 17.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.975 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -147.96 165.72 29.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.561 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 57.8 t-80 -57.73 133.2 55.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.926 177.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 22.6 t -65.45 123.26 19.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.6 . . . . 0.0 111.1 -174.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -131.02 4.21 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.086 177.81 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.417 ' ND2' HE21 ' A' ' 62' ' ' GLN . 33.9 t-20 -71.51 141.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.695 -172.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.71 -17.27 64.77 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.848 -176.292 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 mtt -132.25 119.05 20.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.0 t -143.84 112.34 6.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.201 0.524 . . . . 0.0 110.948 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -111.45 125.8 54.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.03 133.49 55.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.065 0.459 . . . . 0.0 111.647 -176.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 tt -77.71 130.18 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.139 -176.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.868 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.14 145.31 18.67 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.229 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.413 ' HB3' HD21 ' A' ' 37' ' ' LEU . 54.4 tp -131.38 136.34 47.96 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.615 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.0 m -121.73 113.77 20.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 176.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.2 m -103.21 159.78 15.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.701 -177.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 90' ' ' LEU . 38.5 mt -73.19 117.21 14.65 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.397 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.619 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.8 tt0 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 171.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.641 ' N ' ' HG ' ' A' ' 115' ' ' SER . 94.5 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.1 t -104.44 153.69 20.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -1.13 15.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.024 0.44 . . . . 0.0 110.302 175.536 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.64 -28.14 33.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.431 175.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.4 m-20 -60.59 134.44 91.73 Favored Pre-proline 0 C--O 1.231 0.092 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 11.3 Cg_exo -70.59 -24.31 26.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.069 2.513 . . . . 0.0 112.308 -175.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.21 -2.11 56.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -77.99 102.52 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.9 mm100 -85.3 131.38 34.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.783 -178.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.03 150.66 37.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.881 177.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 166.54 32.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.992 0.425 . . . . 0.0 110.205 -179.679 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 130' ' ' LEU . 46.4 mt -110.42 138.25 47.06 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.603 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -67.43 165.89 15.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.87 -73.11 0.09 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.138 0.273 . . . . 0.0 110.806 -174.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t 65.98 -74.6 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.499 0.5 . . . . 0.0 111.285 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -147.73 -32.52 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.445 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 50.2 m -145.58 145.9 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.698 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 2.6 mppt? -65.29 -20.27 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.902 -169.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 86.6 m -117.32 24.16 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 175.23 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 66.8 mt-30 -141.1 79.04 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.31 -152.49 6.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.281 -176.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.97 143.59 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.66 110.04 13.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.488 . . . . 0.0 110.416 -178.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -111.56 124.45 52.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.45 152.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.016 0.436 . . . . 0.0 111.005 -175.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.46 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 61.8 t80 -105.38 114.33 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.506 -178.086 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.57 -167.0 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 3.9 mptp? -57.15 -36.48 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 0.0 110.559 178.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -85.75 7.94 21.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.811 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.45 -154.64 20.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.382 173.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -81.78 122.04 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 111.071 -178.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -139.96 150.45 44.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.379 176.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.471 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.1 mtp -81.13 154.01 26.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.14 -178.722 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.5 t -101.69 129.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.27 141.92 30.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -67.85 -10.91 56.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.264 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.24 8.14 34.69 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.889 -0.507 . . . . 0.0 111.22 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.1 m -70.31 155.8 40.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 60.12 27.92 17.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.056 175.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.88 34.08 87.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.516 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -102.94 158.02 16.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.963 0.411 . . . . 0.0 110.549 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.436 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 2.2 p -101.31 155.97 17.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.457 176.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.9 m -79.82 76.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 111.874 -174.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HE3' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -154.31 169.86 22.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.812 175.177 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -59.29 118.14 5.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.887 0.375 . . . . 0.0 110.666 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -78.97 139.0 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.574 178.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.43 -9.73 54.92 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -130.02 77.96 75.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 110.672 -177.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 3.0 Cg_exo -75.32 -18.85 17.74 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 111.407 177.357 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -20.11 61.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.24 -178.115 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -56.07 -29.04 59.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.65 0.262 . . . . 0.0 111.499 176.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.75 22.2 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -173.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -57.02 -39.93 75.71 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.98 -31.41 72.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.321 -177.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.34 -51.2 71.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 22.4 m -63.75 -35.77 81.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.548 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.14 -45.53 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -74.65 -18.13 60.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.76 7.42 44.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 177.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.67 48.57 1.4 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.644 175.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.4 m -140.65 179.76 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 176.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -152.61 27.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.961 -173.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.7 t70 -64.41 145.79 98.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 123.399 0.679 . . . . 0.0 111.222 -175.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.0 Cg_exo -71.62 109.57 2.67 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.068 2.512 . . . . 0.0 112.092 177.685 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.17 -47.15 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.945 -178.025 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -141.28 158.9 43.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -175.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.9 tt -155.17 109.29 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -176.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.76 -149.54 10.52 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.79 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.68 87.34 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.342 2.028 . . . . 0.0 111.839 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.904 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 42.8 t80 -71.18 -46.37 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.655 -175.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.0 164.41 29.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.646 -176.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -120.49 82.93 1.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.294 0.569 . . . . 0.0 109.796 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -80.22 -24.92 39.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.063 -177.178 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.45 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 73.3 m-85 57.88 27.05 14.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.451 177.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 p -90.7 104.69 9.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 111.504 -178.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 122' ' ' ASN . 56.3 Cg_endo -72.06 -31.15 12.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.723 2.282 . . . . 0.0 112.941 -176.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.61 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 64.0 tt0 -82.8 -34.72 26.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.279 0.561 . . . . 0.0 110.571 -177.349 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 m -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.834 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -91.23 141.66 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.215 -174.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' MET . 21.4 pt -116.72 158.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.439 178.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -110.07 112.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.961 179.027 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -93.68 153.13 18.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.96 159.93 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.45 -177.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.33 -129.8 9.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.233 -178.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -120.12 146.36 46.03 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.0 tp -51.15 103.03 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.017 0.823 . . . . 0.0 111.242 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.72 -25.07 3.8 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.925 -178.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t -100.07 110.73 23.02 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.0 110.238 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -100.88 23.41 10.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.028 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 21.6 m -66.09 -21.07 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.293 -174.809 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -145.15 104.61 3.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.372 . . . . 0.0 110.775 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 51.9 m -127.1 148.58 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.013 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 m -127.36 143.92 51.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.9 0.381 . . . . 0.0 111.263 -177.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.61 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 46.6 t-80 -63.99 132.91 52.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.371 176.536 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 t -77.68 139.9 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -112.13 13.04 20.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.886 177.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' A' ' 101' ' ' PRO . 93.7 m-20 -115.22 130.06 56.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.201 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.22 29.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.51 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 122' ' ' ASN . 41.5 ttm -136.51 100.36 4.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.064 179.245 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.8 t -142.57 135.01 27.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.802 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.56 120.08 32.05 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 174.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.0 m -69.27 120.52 15.22 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 123.509 0.506 . . . . 0.0 110.538 -176.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.18 127.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.904 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -124.43 140.3 12.48 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -175.724 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.589 ' HB3' HD21 ' A' ' 37' ' ' LEU . 39.3 tp -118.8 118.17 30.85 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.268 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.9 m -97.18 93.45 6.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.175 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.6 m -91.16 142.66 27.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.692 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 112.01 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.918 0.39 . . . . 0.0 110.488 177.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.707 -177.972 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 120.746 0.308 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 m -114.75 151.55 33.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.09 21.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 112.009 -177.626 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -120.96 1.79 10.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 172.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.3 m-20 -83.78 137.38 41.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.203 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.8 Cg_exo -47.44 -47.59 17.37 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.343 2.695 . . . . 0.0 113.69 -171.242 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.82 26.05 8.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.932 -172.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.88 140.19 55.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.23 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 20.7 mt-30 -120.87 125.46 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.109 -175.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.86 151.55 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 -178.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -148.84 170.79 17.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.491 179.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.6 mt -115.82 144.0 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -58.98 162.15 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.051 -177.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -82.92 51.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 m -83.94 -73.95 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.264 -176.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -102.07 -64.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.527 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -149.77 -179.62 7.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 8.6 ptpp? -58.74 -38.41 78.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -169.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.747 ' HA ' HD12 ' A' ' 37' ' ' LEU . 72.4 m -112.49 28.27 8.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -176.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -145.5 90.14 1.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.15 -179.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.42 -162.75 29.11 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.064 -178.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 1.9 mp0 -78.87 148.53 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 110.406 -178.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.5 tp -87.24 120.01 28.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.79 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -114.57 123.13 48.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.565 174.178 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.24 149.63 13.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.116 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.4 t80 -81.55 92.75 6.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.798 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.8 tp -81.31 -167.92 1.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.794 -176.071 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.798 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 60.9 tttm -76.65 41.74 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.674 0.75 . . . . 0.0 110.816 -177.694 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -167.81 -48.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.844 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.89 -160.16 30.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.015 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m95 -72.07 121.12 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.1 -178.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -133.07 140.53 47.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.549 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.544 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 61.1 mtp -72.12 153.35 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 178.345 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.6 t -103.94 130.85 53.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.903 0.382 . . . . 0.0 111.18 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.0 t -83.84 144.2 29.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.505 ' HA ' HD12 ' A' ' 128' ' ' LEU . 66.9 p -68.68 -16.13 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.734 -174.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -82.93 12.76 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 110.687 -178.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.1 155.05 41.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -176.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.21 18.48 9.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.542 178.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.45 71.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.351 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -85.31 148.28 26.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 p -76.33 159.88 30.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -74.72 42.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.7 mptp? -120.31 130.47 54.46 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' H ' ' A' ' 92' ' ' LEU . 18.4 tm0? -78.59 120.45 23.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.076 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -94.14 128.4 40.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 51.2 mt-10 -78.54 44.15 0.51 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -171.239 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.59 67.73 80.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.5 Cg_endo -86.96 0.78 7.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.361 2.708 . . . . 0.0 112.583 -175.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -60.46 -15.64 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.01 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.38 -17.08 64.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 177.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.94 16.32 21.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.158 -178.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.664 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 35.9 p -57.38 -38.92 75.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.684 -177.231 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 67.7 mmtt -68.99 -23.99 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.671 -176.524 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.38 -45.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.33 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 176.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.3 -44.9 93.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.549 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.39 -25.81 67.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 177.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' SG ' ' A' ' 44' ' ' CYS . 8.3 tp -89.97 6.02 43.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.721 -178.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 69.04 41.73 1.38 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.245 176.166 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 66.9 m -133.62 177.02 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.683 176.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.48 -148.34 14.03 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.84 -177.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.22 156.15 70.35 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.46 -178.175 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.664 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 11.5 Cg_endo -87.13 118.3 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.185 2.59 . . . . 0.0 112.063 178.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.0 mt -78.52 -46.85 18.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.769 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -135.84 143.77 45.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 -175.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 41.7 tp -146.12 115.9 7.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.131 176.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.06 -151.66 23.69 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.566 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.44 102.85 0.14 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.521 2.147 . . . . 0.0 111.984 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 56.1 t80 -97.98 -66.4 0.9 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.421 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 59.7 mt -124.6 -176.83 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.271 178.094 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 16.9 ptpt -128.95 75.54 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.061 0.458 . . . . 0.0 111.55 -174.396 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 m -75.82 -26.99 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 97' ' ' LYS . 30.6 m-85 43.61 67.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 175.363 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -134.65 95.45 15.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.197 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.36 10.42 0.57 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.758 2.972 . . . . 0.0 114.054 -173.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -126.47 3.54 6.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.228 0.537 . . . . 0.0 110.425 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -120.99 -29.23 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.443 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 7.3 m -102.02 130.91 48.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.935 178.121 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' MET . 33.1 pt -105.49 157.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 0.0 110.729 -178.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.0 tt -118.18 126.33 74.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 175.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.9 m -104.38 156.02 18.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 -176.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -125.39 149.86 47.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.415 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.99 -154.24 19.29 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.58 -176.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -87.38 150.48 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.5 113.24 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.918 179.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.66 -21.38 11.49 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.468 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -88.24 117.03 26.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.081 0.467 . . . . 0.0 111.022 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -106.71 28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -89.1 3.86 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.196 -174.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.8 94.09 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 20.3 m -136.29 149.61 48.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.013 0.435 . . . . 0.0 111.562 -175.335 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 m -142.3 151.29 41.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 175.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.66 131.21 45.79 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.03 179.021 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 123.58 19.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.365 -174.014 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 121' ' ' ARG . 21.4 ttt85 -103.97 58.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.776 0.798 . . . . 0.0 109.352 175.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -154.03 139.12 17.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.25 179.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -74.34 -29.82 61.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.624 -173.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.2 ptm -85.04 62.46 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -109.57 88.17 2.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.259 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.24 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.747 174.017 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -89.24 126.46 35.51 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.687 -176.017 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.9 tt -83.28 127.14 33.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.681 -177.702 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -128.84 167.75 20.86 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.551 -178.253 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 51.8 tp -125.05 127.87 47.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -110.93 99.93 8.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.6 m -97.99 156.36 16.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.411 0.148 . . . . 0.0 110.682 -177.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.18 97.62 0.19 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.079 0.466 . . . . 0.0 110.077 174.073 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.583 ' OE2' ' HG2' ' A' ' 43' ' ' LYS . 87.4 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.683 -177.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -127.44 159.45 34.46 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -75.66 14.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.539 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.472 ' HD1' ' HG3' ' A' ' 79' ' ' LYS . 48.6 m-85 -110.65 -6.32 14.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.439 174.402 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.9 m-20 -69.04 136.51 89.5 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.19 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 45.5 Cg_exo -58.15 -27.5 80.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.688 2.926 . . . . 0.0 113.829 -174.419 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -115.38 18.86 15.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.228 -177.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 63.6 t80 -60.28 128.02 34.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.038 0.447 . . . . 0.0 110.373 -179.272 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 46.3 mt-30 -103.32 109.89 21.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -174.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.3 151.92 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -150.29 147.82 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 71.6 mt -101.85 117.51 35.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 167.2 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -81.79 -96.22 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -168.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -115.28 -97.85 0.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.165 -169.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 p 46.8 -97.52 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.396 0.679 . . . . 0.0 112.098 -176.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.15 -51.87 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -170.03 172.46 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.25 -15.16 62.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -165.221 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 55.9 m -116.13 14.51 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 175.542 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 12.4 pm0 -150.09 83.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.654 0.74 . . . . 0.0 109.587 174.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.3 -156.62 8.37 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.724 -175.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -79.9 137.43 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.218 -178.178 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.57 109.95 11.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.34 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 48.8 mt-10 -112.62 127.32 56.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.699 175.469 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -124.31 154.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -175.429 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 11.3 t80 -93.41 91.08 6.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.848 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.97 -72.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.243 -173.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -149.65 -47.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -174.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.03 -27.04 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.696 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.55 -145.58 13.11 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -80.56 117.17 21.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.167 0.508 . . . . 0.0 110.321 176.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -126.25 139.05 53.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.68 -176.125 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 69.7 mtp -76.61 147.92 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.4 t -101.68 129.0 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.81 0.338 . . . . 0.0 110.433 178.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.33 132.83 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.697 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 1.1 p -74.49 2.32 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -175.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -86.12 5.3 34.47 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 172.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 14.2 t -68.77 150.52 47.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.553 -173.613 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 58.27 22.02 8.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.972 176.284 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 43.29 82.05 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.974 177.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 63' ' ' SER . 2.7 mmp_? -69.43 145.91 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 0.0 110.011 175.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -69.73 156.38 39.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.447 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -76.39 45.09 0.37 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.385 0.612 . . . . 0.0 110.807 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -150.12 162.34 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.82 122.42 16.88 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -73.62 142.48 46.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.276 -171.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -90.96 15.36 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.255 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.54 74.71 13.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.009 0.433 . . . . 0.0 110.121 177.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.98 -14.32 5.2 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.341 2.028 . . . . 0.0 112.745 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.9 p -66.18 -5.91 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.255 -174.76 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -62.39 -25.87 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.036 0.446 . . . . 0.0 110.11 175.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.22 21.2 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.282 -173.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.2 m -55.4 -32.75 62.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.728 0.299 . . . . 0.0 111.543 178.484 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.472 ' HG3' ' HD1' ' A' ' 29' ' ' TYR . 42.5 mmtm -66.03 -31.01 71.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.507 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.03 -50.56 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 109.874 177.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.28 -37.7 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.039 178.287 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.57 -39.19 87.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.044 179.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -68.9 -19.18 64.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.23 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' H ' ' A' ' 37' ' ' LEU . 10.4 mp -102.36 11.34 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 111.047 176.496 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 62.33 41.5 10.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.773 0.797 . . . . 0.0 111.286 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.4 m -122.63 165.12 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.418 171.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.63 -139.19 1.89 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.101 -173.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.06 151.88 64.31 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.572 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 66.3 Cg_endo -80.22 124.95 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.046 2.497 . . . . 0.0 112.566 178.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.42 -36.84 57.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 p -152.36 150.87 30.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -175.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -148.17 132.88 17.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.731 177.324 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.41 -159.46 29.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.426 179.294 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.67 79.96 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.064 2.509 . . . . 0.0 111.973 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 10.7 t80 -90.03 -34.78 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.488 -177.432 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 95' ' ' PHE . 4.4 mp -137.94 179.88 6.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 178.681 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.448 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 59.9 pttt -161.11 121.02 2.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 110.921 173.434 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.6 p -89.27 -14.67 35.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.286 0.565 . . . . 0.0 110.533 176.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 63.82 22.22 12.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.241 174.161 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.462 ' HB ' ' OG ' ' A' ' 103' ' ' SER . 19.1 m -101.53 108.12 54.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.106 0.479 . . . . 0.0 110.154 176.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.73 11.25 3.16 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.198 2.599 . . . . 0.0 114.413 -170.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -129.99 6.17 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 178.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.462 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 57.5 p -110.52 -9.93 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.4 0.619 . . . . 0.0 109.822 174.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 p -125.93 141.96 51.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.055 -176.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 pt -113.13 157.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.956 178.013 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -131.66 114.2 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.322 0.582 . . . . 0.0 110.063 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 28.4 m -86.54 153.82 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.604 -175.437 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.43 166.23 18.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.795 0.331 . . . . 0.0 111.151 -179.258 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.2 -117.67 4.6 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.624 174.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.05 125.41 29.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.363 -169.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.67 123.04 16.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.192 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.76 -12.59 53.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.793 177.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -78.54 92.97 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.888 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.22 64.39 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.712 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.5 m -153.47 -54.74 0.11 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.83 179.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.31 61.86 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.556 0.693 . . . . 0.0 109.683 176.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 58.7 m -111.04 144.84 39.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.711 -177.276 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -108.26 160.07 16.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.731 -176.055 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -83.97 134.1 34.67 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.001 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -74.97 70.14 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -79.7 63.74 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.597 0.713 . . . . 0.0 109.566 176.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.61 137.28 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.459 179.185 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.21 48.17 1.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.129 0.49 . . . . 0.0 110.53 -177.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -149.3 29.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.452 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.48 143.14 27.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.212 0.53 . . . . 0.0 110.688 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.448 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 39.5 m80 -123.37 146.53 47.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.146 178.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 126.12 30.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.697 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -66.87 112.49 4.32 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.239 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' LEU . . . -95.49 128.6 9.58 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.534 178.567 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 92' ' ' LEU . 45.0 tp -121.7 113.91 20.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.4 m -100.58 104.18 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.611 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 24.5 m -101.28 142.09 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.751 0.31 . . . . 0.0 110.935 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.89 128.42 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.731 176.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.618 178.297 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 121.272 0.558 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -130.61 145.76 51.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.974 179.352 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.07 19.83 0.22 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -173.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -108.05 -2.84 19.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.12 0.486 . . . . 0.0 110.0 174.019 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -95.72 143.19 25.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 178.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.61 -6.54 17.04 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.799 2.332 . . . . 0.0 111.933 179.297 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -103.64 4.46 35.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.15 118.62 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.145 0.498 . . . . 0.0 110.46 -176.466 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.15 102.4 14.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.65 -176.087 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 161.96 36.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.522 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 4.7 ptp180 -154.77 174.94 14.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.194 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 44' ' ' CYS . 63.6 mt -111.35 128.75 56.06 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 170.334 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 49' ' ' GLU . 40.9 p -63.21 151.71 39.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 119.525 -0.274 . . . . 0.0 110.597 -176.215 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -46.86 -44.42 19.52 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.294 0.371 . . . . 0.0 111.509 -175.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t 43.2 -95.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.368 1.043 . . . . 0.0 112.535 171.298 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -114.76 -52.62 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.225 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 8.2 t -141.65 -176.55 4.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.015 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.34 -64.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -172.579 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.623 ' HA ' HD12 ' A' ' 37' ' ' LEU . 88.9 m -88.76 33.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 0.0 111.706 -174.272 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 10.6 pt20 -159.54 78.92 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.413 175.414 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.41 -171.06 20.92 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.574 -176.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.453 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.8 mp0 -73.83 133.27 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.523 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.21 111.15 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.175 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' HG23 ' A' ' 38' ' ' THR . 38.2 tt0 -111.88 127.05 55.72 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 52' ' ' LEU . 27.1 m -118.53 145.88 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.062 0.458 . . . . 0.0 111.005 -177.779 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -93.04 108.77 20.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.076 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 50' ' ' VAL . 5.6 mp -95.13 -172.44 2.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.674 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.54 -5.24 35.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.754 0.311 . . . . 0.0 111.639 -176.016 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.36 29.75 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 178.354 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.37 -172.67 14.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.73 -1.224 . . . . 0.0 113.763 173.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 93.1 m95 -91.77 136.73 32.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -176.254 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -140.93 142.7 34.37 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 104' ' ' SER . 43.1 mtm -82.14 148.37 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 110.418 177.083 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -91.34 138.15 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.585 -178.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.39 147.77 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.8 t -80.22 47.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.892 -178.288 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.114 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.4 m -141.71 154.98 45.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.549 -177.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 57.69 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.888 0.742 . . . . 0.0 110.977 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.08 31.43 1.96 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 176.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.44 119.32 37.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -78.09 170.36 16.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -80.7 49.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.35 0.595 . . . . 0.0 111.006 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -143.56 162.75 35.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.44 93.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.97 0.414 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.64 -179.719 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.29 35.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -167.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.04 86.59 4.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -87.61 -18.28 2.55 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.559 2.173 . . . . 0.0 113.452 -175.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.467 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.4 p -70.16 -3.68 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.64 -28.55 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.123 0.487 . . . . 0.0 110.33 174.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.11 24.95 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.847 -177.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.296 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.623 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.4 mtpt -62.5 -28.28 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.479 -176.052 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.1 -45.25 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.9 m -64.16 -32.96 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.335 177.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.93 -31.63 71.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 177.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 5.3 mmp_? -65.28 -33.25 75.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.468 177.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.2 2.11 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 63.09 47.24 4.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.563 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 58.1 m -123.43 170.24 10.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.178 175.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -72.3 -177.63 30.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.35 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.55 149.32 88.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.142 0.496 . . . . 0.0 111.348 -174.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 132' ' ' CYS . 31.9 Cg_endo -65.99 127.63 18.08 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.124 2.549 . . . . 0.0 113.209 -177.802 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.64 -34.23 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.988 178.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -143.59 135.57 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -177.061 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 130' ' ' LEU . 56.6 tp -133.65 91.93 2.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.9 -152.08 8.96 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.44 133.46 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 -178.739 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.736 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.5 t80 -118.5 -63.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -176.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 90.7 mt -130.85 152.1 50.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.645 -179.279 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -93.87 80.83 4.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.315 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.7 m -74.26 -36.94 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.151 -177.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.4 t80 57.02 79.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.692 . . . . 0.0 110.858 179.227 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.7 m -125.42 97.46 36.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 177.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.93 -43.56 35.07 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.189 3.259 . . . . 0.0 114.397 -170.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.65 -34.18 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.864 0.364 . . . . 0.0 111.325 -176.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 t -98.86 57.26 1.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.641 -178.084 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' MET . 17.5 p -154.59 124.56 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.002 172.758 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -129.87 153.58 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.236 0.541 . . . . 0.0 111.921 -175.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.23 118.58 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.461 172.347 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.9 t -110.58 159.06 17.89 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.313 -172.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.01 175.39 8.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.93 -176.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.63 -156.95 20.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.542 -179.422 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -67.63 137.84 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.759 177.371 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.69 106.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.708 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 121.36 -13.4 9.5 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.801 178.735 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -96.24 124.34 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.426 178.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.456 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.8 m-85 -106.53 36.19 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.282 0.563 . . . . 0.0 110.156 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 m -91.78 -10.61 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.287 -177.498 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -141.22 74.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.09 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 13.2 m -114.2 151.64 32.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -176.821 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -119.95 160.52 22.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.919 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -73.37 135.22 44.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.026 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -63.61 121.22 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.148 0.499 . . . . 0.0 111.785 -172.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 13.2 tpp85 -114.77 32.77 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.224 1.012 . . . . 0.0 108.671 174.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -115.92 122.43 45.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.959 -176.145 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.62 -35.82 52.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 111.409 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.54 28.23 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.113 177.668 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.24 82.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.556 179.37 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -73.48 111.2 8.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -54.71 139.56 38.68 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -173.646 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.1 tt -81.32 129.7 34.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.561 -173.771 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.736 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -120.62 129.42 7.86 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.666 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 92' ' ' LEU . 56.0 tp -97.97 113.23 25.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -98.13 101.85 13.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.382 -179.161 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.4 m -98.5 158.99 15.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.426 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 30.6 mt -64.93 91.16 0.09 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.079 174.191 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.591 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 42.3 tt0 . . . . . 0 C--O 1.252 1.217 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.139 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 29' ' ' TYR . 52.6 p -103.22 150.44 23.7 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.254 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.5 22.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.528 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 80.0 m-85 -110.33 -14.17 14.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.898 173.901 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -72.93 134.0 81.51 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.13 -13.87 34.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.827 2.351 . . . . 0.0 112.4 -177.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -106.11 14.69 27.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.826 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -79.97 120.91 24.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.395 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.865 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -89.82 107.16 18.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -175.685 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.79 154.75 35.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.018 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' HH11 ' A' ' 39' ' ' ARG . 6.5 ptm180 -155.39 167.29 30.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.74 177.251 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.6 mt -97.43 129.46 44.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.8 p -60.9 156.58 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.62 0.724 . . . . 0.0 111.764 -175.003 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -79.69 43.41 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.972 -176.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.48 -68.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.607 -176.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -116.53 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.363 -176.143 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 15.2 m -129.45 153.92 47.48 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -66.97 -10.84 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.169 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 1.043 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.0 t -132.37 28.37 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.474 0.654 . . . . 0.0 109.938 175.184 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HG3' ' HB2' ' A' ' 42' ' ' SER . 41.6 mt-30 -146.92 103.68 3.64 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.65 176.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -152.46 10.57 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.228 -178.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.8 143.74 30.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -74.7 101.9 4.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.104 0.478 . . . . 0.0 109.814 174.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -102.21 122.48 44.27 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.418 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.47 150.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -172.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t80 -107.52 106.24 16.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.477 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -101.31 -76.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.099 -178.294 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -126.58 -50.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -177.331 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -71.34 0.28 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.993 179.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . -166.12 -142.06 3.32 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.35 106.91 18.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.91 0.386 . . . . 0.0 110.349 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -118.61 151.76 37.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE1' HG21 ' A' ' 98' ' ' THR . 47.6 mtp -88.15 131.1 34.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.605 -176.576 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.81 129.47 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.859 0.362 . . . . 0.0 110.586 178.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.05 140.29 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.4 p -64.15 -18.69 64.69 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.14 44.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.401 0.62 . . . . 0.0 111.086 -178.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -99.37 159.45 15.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.77 175.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 57.94 30.62 19.42 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.853 0.461 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.27 11.83 64.98 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.87 179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.4 141.6 36.71 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.48 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 7.6 t -92.64 155.61 17.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.02 -178.681 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.2 m -71.2 76.37 0.7 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.736 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -146.08 170.94 15.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.18 111.96 20.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.48 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 77.5 m95 -91.57 128.11 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -96.08 54.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.595 0.712 . . . . 0.0 110.227 -175.229 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 5.2 t70 -146.8 58.63 4.5 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.4 173.72 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 2.8 Cg_exo -76.63 -7.29 17.6 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.982 2.455 . . . . 0.0 111.916 -175.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 p -59.3 -19.7 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.709 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -66.6 -17.66 64.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 177.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 19.08 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -57.48 -39.57 76.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 17.1 tppt? -53.06 -46.27 68.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.513 177.737 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.09 -48.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -177.571 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -61.14 -41.61 97.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.02 0.438 . . . . 0.0 110.687 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.53 -32.83 71.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.778 -177.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 6.2 mmp_? -65.96 -28.64 69.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.993 0.425 . . . . 0.0 110.615 176.861 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.439 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.84 13.1 15.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.969 177.51 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 63.08 35.74 12.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.7 0.762 . . . . 0.0 110.931 179.269 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.7 m -112.72 170.13 8.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.243 176.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -87.01 156.68 54.85 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.759 0.314 . . . . 0.0 110.692 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 7.6 Cg_exo -70.09 121.01 7.64 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.891 2.394 . . . . 0.0 112.116 179.226 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -81.2 -34.46 32.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.728 -178.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -165.46 149.73 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.923 HD12 HD13 ' A' ' 130' ' ' LEU . 9.7 tt -146.72 132.51 18.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.447 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.56 -160.4 29.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.366 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.37 111.79 3.33 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.869 2.38 . . . . 0.0 111.651 178.444 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.744 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 79.0 t80 -106.91 123.36 48.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -177.281 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.3 tp 70.42 154.98 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.822 0.82 . . . . 0.0 111.827 173.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HG2' ' HE1' ' A' ' 126' ' ' HIS . 94.4 mttt -96.82 79.88 2.98 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.513 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.408 HG21 ' HE1' ' A' ' 58' ' ' MET . 0.2 OUTLIER -67.3 -32.22 73.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.513 -171.412 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.603 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 25.9 m-85 62.81 13.71 6.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.81 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 125' ' ' CYS . 22.0 m -88.0 108.46 21.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.523 -174.615 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 94.7 Cg_endo -105.75 41.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.969 3.113 . . . . 0.0 111.595 173.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -139.16 -75.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -82.12 13.63 3.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.115 0.484 . . . . 0.0 111.406 -176.141 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.7 p -108.42 149.6 28.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.023 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.5 pt -128.95 145.46 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 0.0 111.6 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.8 120.08 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.758 173.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.8 m -97.42 141.94 29.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.93 0.395 . . . . 0.0 111.01 -178.277 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.45 168.48 10.34 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.86 -123.04 5.75 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.149 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.71 144.13 49.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -177.057 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.61 116.89 2.52 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.486 0.491 . . . . 0.0 111.629 -178.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.44 46.37 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.158 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -103.55 116.86 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.199 0.523 . . . . 0.0 111.312 -177.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -97.38 48.24 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 p -66.41 -52.32 47.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.488 -176.56 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -139.55 111.22 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.947 0.403 . . . . 0.0 110.291 178.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 62.4 m -111.24 159.41 17.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.954 178.312 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 p -137.61 154.78 49.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.712 0.292 . . . . 0.0 110.99 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -51.2 128.96 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.75 177.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.4 t -67.98 97.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -177.082 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -93.51 79.72 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 178.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -142.34 168.32 20.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 177.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.18 -45.18 57.9 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 0.0 110.517 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.1 ptm -143.58 99.64 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.283 0.563 . . . . 0.0 110.773 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' THR . 5.6 t -77.2 141.34 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.007 178.482 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.614 ' HE1' ' HG2' ' A' ' 97' ' ' LYS . 84.0 m-70 -103.23 122.22 44.31 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 171.48 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 p -70.54 138.2 50.76 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.043 -179.259 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.9 tp -69.26 114.17 7.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -98.86 126.82 9.04 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.905 -178.076 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.923 HD13 HD12 ' A' ' 92' ' ' LEU . 60.7 tp -119.61 124.72 47.01 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.2 m -112.69 108.76 17.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.059 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 40.0 m -104.3 153.19 21.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.694 0.283 . . . . 0.0 110.389 -178.302 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.43 98.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 1.043 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 43.5 mt-10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.896 -176.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.105 0.478 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 23.9 m -85.37 142.11 29.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.315 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.44 22.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.21 0.529 . . . . 0.0 111.878 -178.514 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' H ' ' C ' ' A' ' 27' ' ' SER . 61.9 m-85 -108.79 -19.11 13.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 172.457 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.22 151.71 85.87 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.358 -172.715 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.64 -51.93 7.21 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.814 2.343 . . . . 0.0 112.916 -176.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.2 17.87 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.115 -172.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 81.1 t80 -86.56 122.19 30.15 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.037 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -114.81 137.58 51.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.55 150.69 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.165 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.41 142.27 47.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.196 0.522 . . . . 0.0 110.674 -177.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 78.6 mt -101.48 125.88 48.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.0 p -62.9 156.25 24.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.464 -176.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -73.13 56.05 0.44 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.211 0.529 . . . . 0.0 111.548 179.863 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -62.11 -55.4 29.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 177.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -145.38 -81.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.969 175.199 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -97.3 155.61 16.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 173.018 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -95.42 26.31 3.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -170.597 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 91.5 m -120.53 15.95 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 167.31 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -156.13 146.95 22.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.617 179.198 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 95' ' ' PHE . . . 142.22 -169.87 25.23 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.253 176.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -61.77 137.87 58.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.461 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.9 tp -96.7 116.87 29.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -176.019 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -112.97 135.25 53.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.365 171.568 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.86 153.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.959 -177.327 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -86.59 102.1 13.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.088 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD13 ' A' ' 105' ' ' ILE . 79.1 mt -89.42 -177.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.131 178.132 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 35.6 ttpt -56.93 -38.19 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.958 0.409 . . . . 0.0 110.984 178.62 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -99.07 5.48 46.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.836 -175.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.18 -167.63 14.74 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.242 -0.98 . . . . 0.0 113.624 176.027 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.7 m95 -73.83 134.3 43.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.764 0.316 . . . . 0.0 111.557 -175.268 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -146.52 155.86 42.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' HG12 ' A' ' 105' ' ' ILE . 81.6 mtp -87.51 139.34 30.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.283 -174.73 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 134.57 29.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.556 179.192 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.805 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 84.2 m -97.48 149.68 21.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.178 177.075 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.676 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.7 m -79.02 44.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 178.373 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.53 HE22 ' HA ' ' A' ' 67' ' ' SER . 24.3 tp60 -145.14 35.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.418 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -112.64 149.52 32.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.51 -172.153 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.77 20.76 9.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.309 0.644 . . . . 0.0 112.734 176.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.93 -2.9 82.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.34 -178.587 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 71' ' ' TRP . 6.8 mmm180 -73.76 116.28 14.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.53 ' HA ' HE22 ' A' ' 62' ' ' GLN . 10.1 t -73.96 173.27 10.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.265 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 p -73.77 68.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 111.969 -173.399 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -167.4 166.94 14.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -78.94 133.52 36.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.304 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 87.0 m95 -110.3 172.45 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 -178.068 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -82.39 -3.9 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -164.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t0 -124.22 90.1 51.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.345 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -97.63 -11.9 0.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.072 2.515 . . . . 0.0 113.307 177.14 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 p -76.19 -7.34 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.703 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 13.4 mm100 -58.93 -24.81 62.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.874 0.368 . . . . 0.0 111.503 177.32 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.18 26.15 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.636 -174.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -57.61 -43.87 85.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.646 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.17 -31.76 71.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.775 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.11 -55.59 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.141 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.3 m -59.72 -41.57 91.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.512 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.55 -42.39 99.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.873 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -33.48 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.292 -179.166 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -85.44 8.11 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.069 178.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.63 37.72 10.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 177.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.5 m -114.76 173.27 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.19 -163.6 38.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.77 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 3.6 m-20 -58.41 152.37 44.31 Favored Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 122.831 0.452 . . . . 0.0 111.709 -177.282 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.5 Cg_endo -77.93 115.17 3.75 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.957 2.438 . . . . 0.0 111.874 178.599 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 133' ' ' LEU . 2.1 tt -80.62 -43.29 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.925 -178.075 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.1 m -147.27 142.99 27.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.286 -175.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 130' ' ' LEU . 33.5 tp -136.96 100.86 4.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.194 176.693 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -172.58 -157.29 14.04 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.643 -176.071 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.74 128.07 20.16 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.5 2.133 . . . . 0.0 112.164 -179.572 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE2' ' HA2' ' A' ' 46' ' ' GLY . 42.1 t80 -132.13 98.37 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.629 179.507 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.8 mt 72.68 149.04 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.014 0.822 . . . . 0.0 111.402 -179.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 77.85 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.4 m -70.87 -28.59 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -177.009 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 55.49 79.8 0.15 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.037 0.446 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m -138.18 79.51 31.41 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.101 177.552 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.58 62.62 7.15 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.434 2.756 . . . . 0.0 112.572 -175.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -154.98 -56.48 0.1 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.249 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 t -85.07 -5.2 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.219 0.533 . . . . 0.0 110.002 178.387 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.805 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 33.9 p -82.45 136.85 34.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -178.279 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.843 HD13 HD11 ' A' ' 52' ' ' LEU . 47.0 pt -125.94 152.65 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.382 0.611 . . . . 0.0 111.542 -178.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.2 121.85 63.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -108.64 151.87 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.287 -172.882 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.89 147.88 50.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.671 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.05 -124.1 3.66 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.097 -177.751 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -101.54 134.81 44.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.543 -178.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.52 109.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -178.88 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.39 -7.18 26.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.5 t -115.92 119.43 35.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.168 0.509 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.86 62.2 6.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.657 0.741 . . . . 0.0 109.469 177.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m -81.97 -67.82 0.75 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.242 -176.89 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -112.83 84.69 2.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.293 0.568 . . . . 0.0 109.654 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.6 m -101.43 144.95 29.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.414 -178.016 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -110.06 145.98 36.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -81.74 123.24 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.318 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.6 t -99.42 128.57 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 111.956 -170.119 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -110.74 42.06 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 124' ' ' MET . 50.6 m-80 -121.45 142.29 50.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -178.524 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.32 -13.19 59.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.426 179.263 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.495 ' HG2' ' HB3' ' A' ' 122' ' ' ASN . 26.9 ptm -83.02 14.17 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.172 0.51 . . . . 0.0 110.604 178.297 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 80.61 9.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.169 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -58.46 129.17 40.79 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.909 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.4 m -68.24 127.1 31.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.549 -178.646 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.3 tt -94.8 136.91 34.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.078 -178.082 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -133.82 153.33 20.83 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.337 -179.261 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 92' ' ' LEU . 60.0 tp -114.77 134.43 55.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.4 m -113.1 98.7 7.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.658 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 21.6 m -92.9 141.78 28.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.251 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 90' ' ' LEU . 87.0 mt -67.33 147.4 53.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.402 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.435 174.952 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 114' ' ' PHE . 2.8 tt . . . . . 0 C--O 1.221 -0.434 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.1 p -111.48 165.42 12.0 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 -177.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.05 25.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.824 178.189 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.2 m-85 -130.4 25.86 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.739 172.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.78 149.32 36.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.908 174.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.09 -8.73 22.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 123.28 2.653 . . . . 0.0 113.325 -173.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -113.88 10.21 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 179.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -78.58 129.93 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.375 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -127.63 132.52 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.077 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.32 156.15 44.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.83 157.21 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.123 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 44' ' ' CYS . 83.5 mt -105.86 144.28 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.027 178.742 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -78.84 171.33 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.729 -172.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -73.04 56.84 0.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.226 177.178 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -78.11 -56.37 4.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.98 -178.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.93 -44.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.296 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.706 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 3.4 mmmp? -73.1 -20.52 60.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -164.716 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 1.038 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.1 t -122.53 30.54 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.367 0.603 . . . . 0.0 111.145 -177.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.61 115.92 3.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 175.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -155.26 25.76 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.562 179.172 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.79 136.87 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -178.575 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.9 tp -86.52 112.09 21.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -104.68 132.7 50.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.016 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG23 ' HG ' ' A' ' 52' ' ' LEU . 27.6 m -119.18 150.1 21.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -178.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -89.47 106.85 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.15 178.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' HG23 ' A' ' 50' ' ' VAL . 88.7 mt -125.8 -158.36 0.84 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.075 -179.528 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.21 -30.81 66.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.247 0.546 . . . . 0.0 110.961 -178.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.46 22.11 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.253 -178.094 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.89 -143.39 29.91 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.878 -179.348 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.8 m95 -82.03 117.65 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.86 149.57 49.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.134 0.493 . . . . 0.0 111.361 -177.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 mtp -80.24 124.75 29.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.665 -176.713 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.9 126.07 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 0.0 110.204 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -85.34 135.8 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.681 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.428 ' HA ' HD13 ' A' ' 128' ' ' LEU . 16.9 m -59.59 -20.7 57.65 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -171.627 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -88.02 48.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 110.377 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.4 m -108.65 160.35 16.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.38 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 56.97 -96.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.807 178.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.6 36.62 1.25 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.539 HH21 HD21 ' A' ' 111' ' ' LEU . 21.2 mmt180 -85.8 132.87 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 110.198 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -76.83 160.69 29.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.866 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 61.55 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.067 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -157.12 151.78 25.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 -176.147 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.11 84.95 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.96 138.89 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 38.4 mt-10 -83.97 68.87 10.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.36 0.6 . . . . 0.0 111.775 -175.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 29.7 t70 -129.78 58.95 41.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.916 168.742 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.535 ' HD3' ' C ' ' A' ' 72' ' ' GLU . 61.0 Cg_endo -96.2 -16.53 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.892 2.395 . . . . 0.0 113.64 -173.133 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.453 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.9 m -65.53 -5.3 7.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.339 -175.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.9 -23.77 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 176.267 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.47 22.82 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -176.358 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.7 m -58.5 -41.69 85.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.807 -178.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.93 -30.35 70.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.607 0.242 . . . . 0.0 110.93 -177.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.2 -53.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 12.7 m -59.52 -39.4 83.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.178 178.555 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.85 -39.64 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.229 -178.457 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -73.25 -21.44 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.58 179.471 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.35 9.42 26.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.586 174.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 65.19 41.27 4.55 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.11 177.81 4.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.9 -141.09 9.14 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.856 176.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.82 150.07 81.1 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.023 0.439 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 55.7 Cg_endo -78.2 116.0 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.019 2.479 . . . . 0.0 111.653 175.48 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.5 -48.54 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.069 -175.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 5.6 p -135.69 146.1 47.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.024 -175.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 128' ' ' LEU . 5.3 tt -151.1 95.35 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 -161.07 29.55 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.083 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.53 114.05 1.7 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.681 2.254 . . . . 0.0 111.683 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.693 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 15.2 t80 -118.81 -43.79 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.889 -174.173 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.597 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -133.58 145.17 49.82 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -172.294 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.9 mttt -91.15 77.77 5.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.737 175.106 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 p -82.65 -48.72 10.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.88 -175.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 71.3 m-85 54.47 57.1 6.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.565 0.541 . . . . 0.0 110.853 -178.02 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 84.16 8.6 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.127 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 4.6 Cg_exo -79.84 37.58 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.45 2.767 . . . . 0.0 113.461 -172.144 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -120.78 -48.09 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.074 0.464 . . . . 0.0 110.501 176.577 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -105.78 7.27 32.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.725 -176.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.9 p -94.88 142.56 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -132.46 149.3 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.92 118.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 173.477 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -105.0 157.35 17.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.754 -170.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -130.83 168.01 17.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.304 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 118.34 -151.18 17.95 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 144.97 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.397 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD21 HH21 ' A' ' 66' ' ' ARG . 6.1 tt -59.51 102.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 110.2 -178.485 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.64 -10.78 12.45 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -100.07 120.91 40.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.354 -179.116 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.611 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 98.7 m-85 -96.46 41.13 1.11 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.105 -179.9 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.0 t -63.44 -52.03 63.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.891 -176.263 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -132.38 104.6 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -110.79 140.32 45.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.784 177.208 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 t -110.37 156.45 20.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.028 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -66.88 130.95 44.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 t -61.68 121.27 12.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.49 0.494 . . . . 0.0 111.064 -172.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -137.1 68.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 -177.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -137.9 164.86 27.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.08 -51.03 71.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.604 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.7 ptp -117.65 141.21 48.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.917 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 45.6 t -138.58 115.14 10.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -103.43 130.31 50.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.08 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 61.6 m -64.0 133.44 53.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.109 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 61' ' ' SER . 26.2 tp -66.04 107.51 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.48 178.022 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -88.69 122.25 6.31 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.352 -176.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 tp -110.37 118.78 37.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.5 m -117.29 110.78 18.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.662 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.694 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 7.2 m -109.77 147.82 32.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.058 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.26 115.28 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.325 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 1.038 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 40.5 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.235 -176.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 20.0 m -129.61 153.54 47.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.391 176.322 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -74.62 28.49 0.08 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.493 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' H ' ' C ' ' A' ' 27' ' ' SER . 81.5 m-85 -123.86 -12.03 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 173.374 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.5 143.5 97.13 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.193 -175.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.63 -51.41 10.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.013 2.475 . . . . 0.0 112.342 -176.636 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -97.58 32.45 2.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.639 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 67.7 t80 -74.37 101.72 4.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.663 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -86.24 114.66 23.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.789 -176.036 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.64 159.37 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 49' ' ' GLU . 2.1 ptp180 -154.16 176.3 12.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.099 -179.001 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.1 mt -109.64 121.29 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 167.639 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 22.7 p -45.17 -87.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -169.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -148.39 -76.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.156 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.5 m 67.73 -81.31 0.03 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.489 171.091 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -172.12 -48.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 111.446 -173.253 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 31.7 m -101.46 158.19 16.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.798 -178.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -75.02 -38.18 61.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.42 -175.475 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 74.0 m -117.26 16.82 14.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.045 0.45 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 13.1 mt-30 -138.64 100.35 4.05 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.678 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.3 -171.53 38.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.983 -1.103 . . . . 0.0 113.031 -176.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.53 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 15.4 mt-30 -67.75 131.67 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.391 0.277 . . . . 0.0 110.926 -179.783 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.33 129.62 36.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.925 0.393 . . . . 0.0 110.735 178.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 36' ' ' ARG . 37.6 tt0 -128.58 130.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.57 154.62 29.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.338 . . . . 0.0 110.973 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -97.45 95.9 7.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.782 -179.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD11 HD13 ' A' ' 105' ' ' ILE . 84.2 mt -80.78 -174.13 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.491 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.95 -37.16 83.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.06 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.92 -33.44 75.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 176.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 -167.49 23.75 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.298 -177.537 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.19 124.28 20.45 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 122.365 0.266 . . . . 0.0 110.982 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -140.77 149.01 41.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.822 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 72.0 mtp -79.22 141.61 36.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.638 -177.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.34 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.091 177.337 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.3 t -103.17 149.94 24.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 -177.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.0 p -60.45 -23.4 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -170.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -77.51 8.82 3.83 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -175.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -76.58 147.92 37.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 -178.117 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 59.51 21.67 10.19 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.566 0.746 . . . . 0.0 112.291 174.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.76 21.47 79.67 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.471 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.98 146.65 45.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.674 178.128 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 p -90.45 153.02 20.7 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.791 174.646 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.5 m -79.32 43.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.337 0.589 . . . . 0.0 111.129 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -143.86 161.87 37.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -78.44 97.61 5.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.862 0.363 . . . . 0.0 110.981 -174.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -81.55 173.44 12.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.64 35.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 38.0 t70 -152.26 62.43 4.57 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 121.369 0.604 . . . . 0.0 110.162 177.843 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HB2' ' H ' ' A' ' 92' ' ' LEU . 43.3 Cg_endo -103.57 16.38 0.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.044 2.496 . . . . 0.0 113.583 -176.161 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.636 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 46.3 m -117.28 16.03 14.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -89.01 69.97 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.733 177.172 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 29.49 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.524 178.527 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 m -58.29 -45.92 87.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.085 -175.646 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.612 ' HE3' ' HG3' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -54.61 -37.62 65.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.344 179.405 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.22 -52.77 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.846 0.355 . . . . 0.0 110.11 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.98 -42.24 93.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.194 179.049 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.3 -39.78 89.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.561 0.22 . . . . 0.0 111.293 -175.875 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.612 ' HG3' ' HE3' ' A' ' 79' ' ' LYS . 25.1 mmt180 -71.47 -12.41 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.827 0.346 . . . . 0.0 111.388 -179.867 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.39 6.24 47.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.991 0.424 . . . . 0.0 110.329 173.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.52 49.61 10.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.344 -176.229 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.59 168.77 13.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.986 -179.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.38 -175.91 49.48 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.762 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.57 156.58 42.5 Favored Pre-proline 0 C--N 1.327 -0.393 0 C-N-CA 122.513 0.325 . . . . 0.0 110.975 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 3.5 Cg_exo -73.71 110.07 2.99 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.781 2.321 . . . . 0.0 112.113 -179.734 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.29 -43.67 66.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.021 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -152.2 137.96 17.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.639 -177.122 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 130' ' ' LEU . 55.3 tp -131.49 103.29 6.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 174.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.05 -161.31 23.87 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.989 -176.496 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.91 100.12 0.35 Allowed 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 111.823 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.795 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.1 t80 -92.44 -39.26 11.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 -177.588 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.591 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 95.7 mt -137.57 150.05 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.418 -177.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -103.99 57.02 0.72 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.205 0.526 . . . . 0.0 109.909 176.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -64.09 -23.94 67.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.547 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 49.47 55.64 9.05 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 111.576 171.438 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -120.88 79.87 32.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.106 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.51 33.56 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.415 2.743 . . . . 0.0 112.813 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -113.98 -48.84 2.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.27 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 m -98.87 1.41 45.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.649 -177.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 p -98.17 153.04 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.572 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 52' ' ' LEU . 31.9 pt -125.52 149.18 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 120' ' ' SER . 95.7 mt -124.41 112.89 34.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.396 177.174 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 64.0 m -87.99 114.86 25.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.031 0.443 . . . . 0.0 111.289 -176.713 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.01 91.95 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.67 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.78 -152.29 10.0 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.957 -178.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.68 138.07 58.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.699 0.294 . . . . 0.0 110.68 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.22 107.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.867 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 113.91 -15.14 21.48 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.097 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -93.88 129.53 40.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.397 0.618 . . . . 0.0 111.265 -179.767 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -106.72 44.88 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.593 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.3 t -91.69 -56.55 3.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.927 -176.196 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.26 75.98 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.056 -178.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.6 m -111.41 107.73 17.06 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.225 0.536 . . . . 0.0 110.736 -178.78 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -88.49 151.07 22.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.532 -179.737 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -73.91 68.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 106' ' ' ILE . 8.7 t 56.88 82.52 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.747 173.418 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 121' ' ' ARG . 15.9 mmt85 -114.03 59.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.439 0.638 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.71 171.03 14.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.29 -58.47 7.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.171 178.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.3 ptp -99.26 163.79 12.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.743 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 39.0 t -157.57 110.12 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.521 175.414 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -106.35 139.36 40.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.595 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 m -67.15 117.18 8.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 -179.044 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.4 tp -71.76 109.37 5.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.832 -179.248 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.795 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -97.89 126.79 9.0 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.996 -178.863 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 92' ' ' LEU . 53.0 tp -100.27 114.32 27.7 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.513 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.4 m -99.96 90.35 4.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.42 -178.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 26.3 m -80.86 137.41 36.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.666 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.21 102.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.034 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 44' ' ' CYS . 35.0 mt-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.037 168.327 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.225 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 19.3 m -92.95 149.74 21.04 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.432 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.25 20.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.23 0.538 . . . . 0.0 111.252 -179.101 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' A' ' 27' ' ' SER . 56.6 m-85 -106.34 -13.68 15.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.479 173.547 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.02 134.99 80.49 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.517 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.28 -15.04 35.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 123.103 2.535 . . . . 0.0 112.879 -175.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.14 4.53 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.095 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -76.3 143.47 40.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 49.7 mt-30 -120.79 133.24 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.916 -176.112 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.497 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.54 153.11 32.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.479 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -140.13 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.4 mt -112.22 127.2 55.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 172.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 37.6 p -69.83 168.22 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -176.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.841 ' HD2' ' H ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -47.76 -68.31 0.2 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.842 0.714 . . . . 0.0 110.793 -176.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m 48.35 -99.03 0.05 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.813 0.696 . . . . 0.0 112.021 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -106.97 -53.72 2.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 69.0 m -139.67 159.74 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.456 -179.735 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -69.88 -2.25 11.79 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.364 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.4 t -137.95 24.01 2.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.822 0.82 . . . . 0.0 109.229 174.764 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 19.1 mt-30 -145.89 89.45 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.666 178.438 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.65 -163.79 30.48 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.387 -176.467 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.554 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 22.4 mt-30 -61.16 136.49 58.08 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.76 0.329 . . . . 0.0 110.979 -179.81 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.89 119.73 30.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.963 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -113.26 129.4 56.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.514 171.267 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.79 151.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.448 -179.316 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 71.3 t80 -92.61 109.95 21.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.374 -178.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.4 mt -104.74 -173.77 2.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.727 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 4.4 tmmm? -56.86 -37.36 71.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 109.814 174.41 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.18 9.91 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.732 -179.272 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.29 -154.15 21.33 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.676 177.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.1 m95 -80.67 128.9 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.896 0.379 . . . . 0.0 111.262 -175.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -135.16 137.63 42.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.98 128.65 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.798 176.592 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.27 133.78 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.269 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.25 146.42 25.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD13 ' A' ' 128' ' ' LEU . 87.8 p -63.21 -26.47 68.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -170.199 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.48 41.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.738 -174.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -101.61 141.99 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.042 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 60.48 -88.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.047 177.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.44 34.97 1.36 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.051 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.027 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 p -129.9 -155.79 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 -174.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.6 t -84.59 -12.92 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -101.98 125.79 48.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -63.57 137.51 58.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.394 -176.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -87.58 163.36 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -86.39 12.23 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.287 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -152.02 111.7 2.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.42 . . . . 0.0 111.431 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 68.3 Cg_endo -100.81 13.8 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.696 2.931 . . . . 0.0 112.43 175.013 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -81.76 33.88 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.366 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.6 -5.02 14.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 110.588 177.709 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.49 17.9 17.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 111.06 -177.689 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -55.72 -37.35 68.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.624 -178.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -64.26 -31.81 73.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.998 -179.181 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.08 -45.74 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.073 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.6 m -59.66 -40.52 87.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.118 175.368 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.264 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -65.19 -24.23 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.684 0.278 . . . . 0.0 111.552 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.68 4.86 53.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.939 0.4 . . . . 0.0 110.766 176.574 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 61.22 47.3 7.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.897 0.856 . . . . 0.0 110.32 179.734 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.9 m -117.45 -179.23 3.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.1 -139.47 5.31 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.424 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.39 151.89 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 55.6 Cg_endo -77.24 108.76 2.68 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.778 2.319 . . . . 0.0 111.709 174.106 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -77.9 -28.35 49.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.327 -177.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.3 m -149.51 147.29 28.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -177.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.652 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.9 tt -152.43 90.98 1.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -178.697 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.28 -155.44 15.94 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.755 -177.78 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.03 112.75 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.578 2.186 . . . . 0.0 111.879 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.848 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 52.3 t80 -106.94 -41.74 5.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.569 -179.252 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.606 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.0 mt -133.54 165.61 24.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 0.0 111.149 -177.132 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -118.61 43.84 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.668 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 m -68.92 -44.26 73.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -175.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 10.7 m-85 59.22 81.61 0.16 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 111.388 -179.36 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 m -106.65 88.26 3.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.918 176.472 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 86.1 Cg_endo -77.98 51.5 3.66 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.975 2.45 . . . . 0.0 113.055 -172.457 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.663 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 63.4 tp60 -160.83 -43.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.171 177.245 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -90.48 -26.1 19.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -178.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -79.54 143.76 34.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.062 0.458 . . . . 0.0 110.635 -176.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.9 pt -124.02 151.13 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.7 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.34 124.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.236 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 60.7 m -99.66 145.86 27.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 -177.503 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -122.44 168.52 12.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 -176.315 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.12 -118.96 4.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.655 172.271 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.7 122.0 26.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.974 0.416 . . . . 0.0 111.944 -172.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.78 124.87 19.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.382 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -7.07 67.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 177.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.7 t -106.42 123.88 48.75 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.608 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -98.5 23.44 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.438 177.11 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.7 t -69.16 -24.06 64.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.633 -177.438 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -139.93 88.15 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 110.02 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 59.3 m -119.45 148.96 42.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.649 179.249 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.1 m -132.5 167.99 18.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.829 0.347 . . . . 0.0 111.043 -176.55 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.663 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 14.4 t-80 -62.69 131.02 47.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.014 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -63.91 104.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.867 -174.825 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -138.68 60.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.282 174.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -109.99 -176.78 3.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -59.85 -60.16 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.961 0.41 . . . . 0.0 111.041 -177.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.0 ptp -148.1 156.71 42.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -169.92 143.66 2.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 -174.66 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -116.66 164.68 14.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -174.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 9.5 m -66.47 122.45 17.58 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.347 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' SER . 22.1 tp -74.18 122.7 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.189 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.848 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.92 130.74 9.09 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.445 -178.09 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.652 HD13 ' HG ' ' A' ' 92' ' ' LEU . 51.5 tp -107.66 125.04 50.86 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.617 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -107.63 95.61 5.82 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -177.723 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 36.7 m -98.82 137.47 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 90' ' ' LEU . 16.7 mt -61.3 117.5 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.822 179.046 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.455 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 43.2 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.581 170.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.705 ' N ' ' HG ' ' A' ' 115' ' ' SER . 95.8 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 40.9 m -143.64 156.94 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.173 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' HB2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -77.46 34.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 0.0 111.747 -179.702 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.9 m-85 -134.0 -2.93 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.676 173.632 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.6 138.16 58.74 Favored Pre-proline 0 C--O 1.232 0.169 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.027 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.01 -18.28 51.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.145 2.563 . . . . 0.0 113.167 -174.74 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -105.73 5.48 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -69.98 129.86 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.75 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.617 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.3 mt-30 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.494 -179.406 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 156.45 43.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 178.483 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HD2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -149.44 161.71 41.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.959 -179.763 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.0 mt -108.46 127.79 54.22 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.771 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 p -53.25 138.06 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.647 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -46.24 -38.3 8.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.827 0.704 . . . . 0.0 112.868 -169.502 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.647 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 36.2 t 45.41 -96.48 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.867 0.729 . . . . 0.0 111.611 175.034 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -132.78 -17.36 2.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.316 0.579 . . . . 0.0 109.533 173.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 11.4 t -151.94 141.81 22.01 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.28 0.05 20.68 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' LEU . 32.7 m -124.15 23.99 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 110.059 172.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.5 tt0 -154.74 87.76 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.505 176.494 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.86 -167.48 32.86 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.113 -176.424 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HG3' HD12 ' A' ' 96' ' ' LEU . 21.5 mt-30 -69.28 137.84 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.313 . . . . 0.0 110.737 179.039 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.8 tp -76.75 114.95 16.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.374 178.037 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 28.8 tt0 -119.11 122.79 42.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.749 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.45 150.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.756 -173.612 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.9 t80 -98.43 106.37 18.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.398 176.467 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 mt -111.78 -167.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.541 179.52 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -57.54 -28.03 63.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.208 0.528 . . . . 0.0 110.78 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.1 16.99 20.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.738 -176.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.81 -160.05 26.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.748 176.733 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -78.98 120.94 24.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.982 -179.208 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.83 142.79 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.059 178.313 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.0 mtp -71.84 140.01 49.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 178.388 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.5 t -92.32 125.6 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.0 0.429 . . . . 0.0 110.257 178.105 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 138.26 31.69 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.3 m -61.77 -21.01 64.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -171.412 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -85.3 59.14 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.241 0.543 . . . . 0.0 109.915 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.2 m -122.61 151.14 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.631 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' GLY . 3.4 m-90 59.07 -96.07 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.995 176.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -133.12 19.66 4.33 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.146 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.651 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 17.8 mmt180 -83.9 172.26 12.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.041 0.448 . . . . 0.0 110.318 -179.688 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 p -131.35 -159.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.564 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.566 ' C ' ' HG2' ' A' ' 94' ' ' PRO . 14.4 t -87.7 15.62 6.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -178.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -140.68 172.04 13.26 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 39.6 tt0 -75.99 142.03 42.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.688 -175.098 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.651 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 22.6 m95 -108.14 171.73 7.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.25 171.493 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 26.8 tt0 -88.24 42.01 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.416 0.627 . . . . 0.0 110.747 -173.033 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 2.1 m-20 -133.34 62.19 58.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.141 178.094 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 1.3 Cg_endo -86.25 -32.78 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.827 2.351 . . . . 0.0 112.029 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.881 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.8 m -68.42 -12.51 61.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.711 -174.782 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -65.32 -19.87 66.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.697 178.54 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.7 27.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.898 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 t -50.62 -51.81 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.622 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' TRP . 5.1 mptp? -67.24 -23.19 65.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.57 -52.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.07 -35.44 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 109.93 176.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.066 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -62.95 -29.26 70.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 110.978 176.721 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.497 HD11 ' HG ' ' A' ' 37' ' ' LEU . 74.3 mt -92.61 2.66 56.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.693 179.583 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 57.66 37.96 27.52 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.874 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -109.11 176.49 5.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.142 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.82 -130.85 2.21 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.138 -176.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -74.64 150.52 86.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 111.694 -174.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.881 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.5 Cg_endo -84.62 105.09 0.99 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.233 2.622 . . . . 0.0 110.983 173.117 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -71.59 -49.24 42.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.414 -174.701 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.0 m -146.16 148.02 32.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -176.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.926 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -149.47 117.04 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.55 -166.25 38.5 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.536 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.566 ' HG2' ' C ' ' A' ' 68' ' ' SER . 27.4 Cg_exo -64.52 95.93 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.855 2.37 . . . . 0.0 111.846 178.213 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -97.94 -33.03 11.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -176.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 81.2 mt -123.29 156.11 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 52.1 mtmt -120.65 52.9 1.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -177.549 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 m -92.38 -41.07 10.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.428 178.184 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.6 p90 37.82 72.63 0.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.098 0.959 . . . . 0.0 113.337 177.72 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 p -86.62 101.51 2.13 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.563 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 19.6 Cg_endo -57.71 -28.18 80.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.824 2.349 . . . . 0.0 113.345 -171.166 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -74.1 -44.59 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.2 m -91.61 -37.22 13.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.301 -175.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 18.6 m -82.15 127.37 33.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.134 -178.226 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 117' ' ' CYS . 24.6 pt -109.99 151.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.181 0.515 . . . . 0.0 111.196 -177.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.6 mt -110.86 121.54 63.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.836 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.81 157.23 17.35 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.829 -174.651 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -130.03 161.86 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.52 -132.26 10.87 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.97 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.39 150.22 23.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -176.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.63 103.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 109.37 -1.5 31.01 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.42 179.242 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t -84.39 100.28 11.19 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.126 0.489 . . . . 0.0 110.4 179.654 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -92.55 27.77 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.608 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.705 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 12.1 m -66.24 -55.02 18.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.231 -174.455 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -137.53 105.75 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.588 -179.219 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.414 ' HB2' HD12 ' A' ' 105' ' ' ILE . 8.0 m -114.51 156.02 25.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.437 -179.138 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -117.99 167.47 11.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.042 0.449 . . . . 0.0 111.395 -175.606 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -59.34 141.32 54.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.455 175.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 29.9 t -62.88 108.53 1.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.574 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -126.94 49.79 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.781 -174.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.505 ' OD1' ' HB2' ' A' ' 125' ' ' CYS . 25.6 p-10 -130.23 -178.99 4.99 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.351 175.597 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.01 -52.52 7.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.928 0.394 . . . . 0.0 111.292 -175.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 124' ' ' MET . 15.6 ptp -125.95 101.61 6.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.385 0.612 . . . . 0.0 111.113 -178.049 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.505 ' HB2' ' OD1' ' A' ' 122' ' ' ASN . 6.1 t -111.32 167.85 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.619 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 97' ' ' LYS . 21.7 m170 -140.49 149.78 42.93 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.133 -0.354 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 13.4 m -73.13 124.78 26.26 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.484 HD21 ' HG ' ' A' ' 92' ' ' LEU . 6.7 tt -77.23 123.44 26.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.579 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.69 138.02 14.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.746 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.926 HD13 HD12 ' A' ' 92' ' ' LEU . 65.4 tp -121.17 135.92 55.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.32 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.7 m -116.88 103.98 10.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.806 178.259 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 33.7 m -104.14 134.91 46.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.432 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.443 ' CD2' HD11 ' A' ' 90' ' ' LEU . 41.2 mt -60.84 124.81 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.428 0.156 . . . . 0.0 110.903 177.846 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.765 175.459 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.583 ' N ' ' HG ' ' A' ' 115' ' ' SER . 78.6 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 t -142.61 150.63 40.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.02 23.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -111.41 -11.12 14.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 0.0 110.488 173.334 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.22 130.58 41.49 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.162 -178.688 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.62 -7.88 22.17 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.944 2.429 . . . . 0.0 112.435 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.68 -25.81 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 174.098 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -75.05 137.57 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.869 -177.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.882 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -119.72 133.98 55.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.731 0.3 . . . . 0.0 110.471 -178.15 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 153.54 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 143.85 28.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -176.786 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.5 mt -97.06 140.42 31.6 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.488 HG21 HE21 ' A' ' 47' ' ' GLN . 81.4 p -71.13 162.67 29.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.213 177.571 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.34 -72.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.453 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 t 59.78 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.59 0.556 . . . . 0.0 111.141 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -110.48 -44.99 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 109.721 178.636 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -171.28 163.13 7.02 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.607 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.11 -18.58 63.57 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -166.507 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 87.7 m -97.15 3.71 51.49 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.612 -0.435 . . . . 0.0 112.086 -178.736 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 3.6 pt20 -152.46 102.17 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.671 0.748 . . . . 0.0 111.2 177.129 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.27 -165.29 20.16 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.997 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 HE21 HG21 ' A' ' 38' ' ' THR . 22.4 mt-30 -76.68 133.49 39.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.891 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.08 111.82 18.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -110.26 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 172.534 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.81 152.96 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 -177.171 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -94.08 118.22 31.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.963 -178.242 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.73 176.74 5.06 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.216 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 2.5 tmtp? -59.2 -37.23 76.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -173.588 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -99.36 19.35 15.69 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.09 -173.55 19.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.8 172.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.47 140.53 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -178.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -138.71 144.66 39.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.536 -178.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.5 mtp -81.81 133.94 35.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.016 178.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.82 116.74 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.092 0.472 . . . . 0.0 109.931 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.5 t -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 176.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.457 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 80.3 p -79.24 39.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -175.753 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -118.46 21.63 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.0 m -99.0 147.54 24.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.166 -175.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 3.3 m-90 58.81 -87.5 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 111.957 177.005 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.05 29.2 2.75 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.184 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.761 HH12 HD11 ' A' ' 111' ' ' LEU . 80.5 mmt-85 -109.32 150.72 27.58 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.651 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.6 p -148.55 -82.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.263 0.554 . . . . 0.0 110.523 176.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -130.92 0.34 4.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.696 0.76 . . . . 0.0 109.482 176.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -110.66 144.4 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.456 -177.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -81.69 139.32 34.99 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.448 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -91.42 164.5 13.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.375 -168.787 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.4 -53.76 54.49 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.504 0.502 . . . . 0.0 112.32 -175.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -112.64 104.92 56.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.381 . . . . 0.0 111.288 -175.112 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -93.45 -6.44 2.62 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.944 2.43 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.883 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 33.1 m -85.04 44.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 111.67 -173.597 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -103.25 -19.28 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.817 174.425 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.39 20.67 11.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.863 -178.828 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -54.97 -42.47 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.709 -178.204 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -61.62 -37.3 83.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.024 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.42 -55.18 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.152 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 57.9 m -57.93 -44.91 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 -179.83 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.65 -46.46 88.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -177.302 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.587 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 4.4 mmp_? -76.32 -19.48 58.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.508 -178.61 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -86.85 10.05 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 177.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.2 t30 68.67 45.18 1.08 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.134 0.968 . . . . 0.0 110.382 179.202 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 80.1 m -135.44 176.19 8.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.466 176.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.83 -157.34 26.47 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.676 -179.447 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.4 m-20 -55.43 150.21 24.87 Favored Pre-proline 0 N--CA 1.468 0.454 0 C-N-CA 122.692 0.397 . . . . 0.0 112.016 -176.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.883 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 8.8 Cg_endo -85.11 104.31 0.86 Allowed 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.297 2.665 . . . . 0.0 111.877 177.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 133' ' ' LEU . 92.6 mt -68.84 -38.59 79.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.199 -178.584 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -147.75 154.29 40.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 -177.354 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 130' ' ' LEU . 7.5 tt -156.03 99.39 1.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.16 -162.32 27.32 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.638 -177.648 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.03 107.22 0.75 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.431 2.087 . . . . 0.0 112.025 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.832 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.8 t80 -93.69 -40.52 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.204 -177.584 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -139.66 163.94 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.53 -178.091 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -111.0 58.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 m -79.49 -29.36 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.647 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 68.38 -76.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.52 -179.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m 46.05 72.28 1.29 Allowed Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.463 0.477 . . . . 0.0 110.758 -173.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.44 46.92 1.5 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.383 2.722 . . . . 0.0 113.03 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -139.84 -38.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.006 177.17 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.3 m -105.31 -11.27 16.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.464 -177.012 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.0 p -83.77 127.76 34.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.649 . . . . 0.0 111.705 -175.245 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.8 pt -116.96 155.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.124 179.048 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.87 131.32 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.277 176.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.85 147.67 31.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.428 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -117.44 154.48 31.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.017 -172.442 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.5 -123.42 6.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.184 -0.531 . . . . 0.0 114.079 171.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 110' ' ' GLN . 10.5 mt-30 -71.61 119.41 15.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.544 . . . . 0.0 112.353 -172.867 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.761 HD11 HH12 ' A' ' 66' ' ' ARG . 4.8 tt -61.01 118.78 7.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.045 178.036 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.28 -15.98 15.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.665 177.404 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -97.77 135.73 39.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.095 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.479 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 88.5 m-85 -118.69 24.07 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.766 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.583 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 10.0 m -79.77 -43.76 21.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.964 0.412 . . . . 0.0 110.859 -176.274 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -114.9 65.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.169 0.509 . . . . 0.0 111.131 -177.802 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 19.3 m -101.05 159.04 15.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.507 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.8 m -144.21 166.01 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.644 0.259 . . . . 0.0 110.651 -178.599 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -72.84 140.93 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.4 t -60.02 113.45 2.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 -177.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -118.09 27.65 8.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.03 172.76 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 178.661 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.41 -64.48 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -173.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -101.44 155.97 17.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 111.92 -172.218 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 32.3 t -153.83 143.3 21.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.34 176.556 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.457 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 33.3 m170 -126.1 146.88 49.75 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -83.4 118.66 23.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -177.31 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.27 123.74 24.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 -177.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.832 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -109.61 126.85 8.19 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 178.002 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 51.0 tp -103.34 117.88 35.5 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 178.578 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.9 m -104.24 95.83 6.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.723 0.297 . . . . 0.0 110.915 -177.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.424 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 4.4 m -98.09 148.07 23.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 90' ' ' LEU . 66.0 mt -56.59 139.46 49.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.601 176.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.6 -177.439 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 29' ' ' TYR . 11.4 m -83.85 138.24 33.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.114 -178.138 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.04 13.82 0.62 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.449 0.643 . . . . 0.0 110.778 176.882 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 2.9 t80 -115.43 5.29 14.49 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.322 178.89 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 33.2 m-20 -90.7 136.67 27.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.261 178.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 28.1 Cg_exo -62.89 -16.21 52.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.336 2.691 . . . . 0.0 112.778 -178.38 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -100.38 -2.09 34.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.707 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.72 132.73 46.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.161 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.88 120.99 41.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 111.209 -177.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.21 151.41 38.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.946 177.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.71 157.78 44.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.2 mt -107.85 120.2 41.6 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 178.47 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 4.3 m -54.36 115.22 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.634 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -47.18 -74.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.969 0.793 . . . . 0.0 112.506 -166.89 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t 65.62 -68.12 0.12 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.021 0.439 . . . . 0.0 110.482 -176.554 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -120.48 -35.88 3.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.819 -179.261 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 t -151.64 161.38 42.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.631 -175.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -88.12 5.06 43.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.276 0.56 . . . . 0.0 109.736 177.129 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -119.74 -1.85 10.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.041 178.784 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.65 119.59 7.65 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.15 -151.05 11.61 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.797 -179.297 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.537 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 56.3 mt-30 -86.85 147.49 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.16 108.96 18.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.006 0.432 . . . . 0.0 111.11 -177.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -112.68 133.64 54.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.482 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.01 152.22 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.666 -177.818 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -103.25 102.92 12.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 mt -104.46 -169.38 1.61 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.09 -22.48 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 110.489 -179.505 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.99 0.51 47.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.7 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.43 -161.74 14.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.721 175.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.76 125.82 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -142.35 145.77 34.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.215 0.531 . . . . 0.0 111.157 179.062 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.4 mtp -75.83 140.84 42.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.114 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.21 127.23 41.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.937 0.399 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.7 134.27 39.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.48 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 87.7 p -78.37 51.62 1.05 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.036 0.446 . . . . 0.0 111.374 -177.422 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 22.7 tp60 -151.49 31.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.666 0.746 . . . . 0.0 109.114 177.039 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -95.23 143.94 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.327 -172.473 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.507 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 3.7 m-90 58.38 -89.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.733 179.112 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -138.95 26.55 2.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.115 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 21.7 mmt180 -100.98 116.62 33.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 m -75.74 173.49 11.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.926 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -78.62 44.99 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.376 0.607 . . . . 0.0 110.345 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -142.85 152.72 42.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.59 107.37 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.585 0.707 . . . . 0.0 109.817 178.156 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 145.68 42.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.287 -175.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -82.97 41.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.194 0.521 . . . . 0.0 110.533 -177.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -152.53 68.04 6.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.18 0.514 . . . . 0.0 110.809 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.83 -12.58 4.26 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 179.559 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 m -64.95 -16.9 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.187 -174.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -71.66 -14.83 62.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.972 0.415 . . . . 0.0 110.342 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.48 10.37 41.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -177.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 49.3 m -56.76 -38.22 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.611 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -61.97 -32.02 72.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.888 -179.633 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.76 -49.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 110.274 178.249 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 77.5 m -61.06 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.07 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.4 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 3.2 tmt_? -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.94 4.0 54.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.502 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.86 43.69 5.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.73 0.776 . . . . 0.0 110.917 -178.247 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.5 m -117.69 167.22 11.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 175.445 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.0 49.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.082 178.29 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.44 150.62 23.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.06 0.457 . . . . 0.0 111.945 -175.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 56.0 Cg_endo -73.53 127.12 11.46 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.142 2.561 . . . . 0.0 113.161 -176.558 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 133' ' ' LEU . 95.2 mt -84.04 -45.21 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -145.93 152.49 39.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -176.32 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 130' ' ' LEU . 25.3 tp -151.28 139.11 19.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.284 -177.227 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 -157.13 26.51 Favored Glycine 0 C--O 1.227 -0.295 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.014 177.198 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.13 101.02 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.816 2.344 . . . . 0.0 112.133 -179.655 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 6.7 m-85 -101.74 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.484 -175.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 68.4 mt -100.7 168.84 9.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.626 -175.225 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 2.5 mptp? -125.21 64.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 -173.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -77.24 -37.93 52.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.387 178.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 69.5 m-85 46.46 72.64 0.22 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.603 0.564 . . . . 0.0 111.812 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.0 m -133.1 91.91 26.87 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.44 178.652 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.5 66.43 2.21 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.271 2.647 . . . . 0.0 111.432 178.257 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 34.7 tt0 -163.63 -54.6 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.268 -178.125 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 m -85.5 -10.38 56.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.639 178.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 p -110.26 151.66 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.69 157.5 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.781 178.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.3 tt -123.61 127.58 74.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.179 0.514 . . . . 0.0 109.696 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.4 m -98.92 142.04 30.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.945 0.403 . . . . 0.0 111.262 -173.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -121.76 170.41 9.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 178.085 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.79 -133.46 11.41 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.759 179.186 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -94.48 134.58 36.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 -175.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.96 114.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.622 -178.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.64 -8.64 28.08 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.902 176.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -98.87 109.9 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.124 0.487 . . . . 0.0 110.935 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 62.2 m-85 -96.69 22.63 7.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.052 175.74 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.5 m -59.76 -43.43 94.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.605 -175.734 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -148.23 100.27 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.202 0.525 . . . . 0.0 110.518 179.266 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.9 157.31 16.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.696 178.238 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.7 t -109.66 156.56 20.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.729 -176.017 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 26.1 t-80 -73.01 135.7 44.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.215 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.6 m -61.32 116.89 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.186 0.304 . . . . 0.0 110.961 -177.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 121' ' ' ARG . 6.3 mmm180 -95.23 7.85 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.727 -176.551 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.45 ' ND2' ' HG2' ' A' ' 124' ' ' MET . 24.9 p-10 -141.75 163.55 32.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.105 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.1 4.86 53.22 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.45 ' HG2' ' ND2' ' A' ' 122' ' ' ASN . 22.6 ptt? -95.21 18.92 11.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.092 -175.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.84 95.43 4.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.669 0.747 . . . . 0.0 111.61 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.48 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 76.2 m80 -73.87 149.53 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.966 174.663 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 8.5 m -73.79 110.26 7.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.02 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.2 tt -66.83 119.63 12.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.965 -177.069 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -106.08 144.71 15.85 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.906 -178.745 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -131.84 118.18 19.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.88 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.7 m -104.06 99.55 9.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.598 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 59.0 m -85.86 154.97 21.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.107 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 90' ' ' LEU . 21.2 mt -64.08 102.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 0.0 110.272 175.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.179 -178.517 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' HG ' ' A' ' 115' ' ' SER . 75.4 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 18.1 m -89.82 148.89 22.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.0 110.338 -176.77 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.518 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -73.2 18.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.764 178.208 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' SER . 6.1 t80 -120.91 2.08 10.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -90.82 145.5 32.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.42 -21.77 60.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 123.342 2.695 . . . . 0.0 112.891 -178.255 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -99.26 14.79 28.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.853 0.358 . . . . 0.0 111.268 -177.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -84.02 129.05 34.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.841 0.353 . . . . 0.0 110.166 178.169 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.5 mt-30 -116.48 126.28 53.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.464 -177.48 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -158.13 160.3 37.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.354 -177.868 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -141.53 170.49 15.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.76 176.323 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.0 mt -121.0 46.56 2.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.125 -176.516 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.686 HG21 HE21 ' A' ' 47' ' ' GLN . 71.9 p 45.86 -158.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.388 176.435 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -127.4 41.41 3.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.526 178.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.374 -171.775 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -157.04 -40.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 -177.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -138.26 153.27 49.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.68 -13.89 62.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.385 -173.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 10.2 t -122.57 22.32 9.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 178.381 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -147.87 104.81 3.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.79 -146.5 8.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.88 -178.481 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.686 HE21 HG21 ' A' ' 38' ' ' THR . 22.5 mt-30 -83.59 135.57 34.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 -176.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.7 tp -78.19 105.41 9.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.145 0.498 . . . . 0.0 110.898 -179.18 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.17 125.82 51.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.162 173.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -109.13 150.79 11.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 76.6 t80 -99.82 101.78 13.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.916 178.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.26 -165.04 1.14 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -30.72 71.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -176.276 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -57.36 3.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.574 174.657 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.24 -144.61 9.56 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 178.293 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.572 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.8 m95 -82.78 125.03 30.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.698 0.285 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -140.05 146.42 38.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.9 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.0 mtp -78.18 132.42 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.505 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.75 126.53 40.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.869 0.366 . . . . 0.0 110.631 179.186 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.7 t -80.95 137.53 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -77.42 8.44 4.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.188 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -110.17 36.8 2.91 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m -105.16 160.35 15.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.027 -175.06 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 62.37 -89.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.751 175.833 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.77 22.44 1.98 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 177.881 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HD2' ' CE2' ' A' ' 71' ' ' TRP . 85.3 mmt-85 -112.4 143.73 43.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 -176.676 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.423 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 66.0 m -97.85 161.71 13.61 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.112 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 5.4 t -69.29 78.98 0.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 -179.185 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -148.71 157.45 43.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -79.28 109.22 13.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 -178.401 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 87.7 m95 -91.36 169.44 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.764 -177.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.94 24.71 10.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.818 -170.385 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -144.16 86.22 8.48 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.961 0.41 . . . . 0.0 110.695 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.13 -10.84 5.57 Favored 'Trans proline' 0 N--CA 1.452 -0.971 0 C-N-CA 122.149 1.9 . . . . 0.0 111.824 174.341 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 21.1 p -73.62 -1.38 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.016 -174.746 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.2 -19.35 61.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.046 0.451 . . . . 0.0 110.518 174.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.74 22.41 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -174.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -58.09 -36.07 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.658 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 57.0 tptt -65.72 -29.36 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.67 -47.21 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.168 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.06 -39.08 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.602 177.074 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 5.9 tp60 -65.3 -35.44 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.689 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -67.77 -23.03 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 177.838 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.21 9.18 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.114 177.204 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.16 48.16 15.82 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.101 -179.269 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.7 m -117.42 178.4 4.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.685 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.07 -151.91 8.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.096 178.001 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -77.1 151.55 81.67 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-O 121.06 0.457 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 43.1 Cg_endo -74.46 119.77 5.91 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.867 2.378 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.81 -48.52 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.319 -175.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -145.11 152.37 39.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -176.764 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.875 HD12 HD13 ' A' ' 130' ' ' LEU . 9.6 tt -147.26 137.8 23.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.119 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.16 -152.48 23.51 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.813 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.49 96.33 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 111.623 176.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.948 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 55.0 t80 -82.9 -41.59 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -176.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.533 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 77.3 mt -136.87 151.05 48.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.266 0.555 . . . . 0.0 111.312 -177.663 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -102.88 47.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.67 177.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.7 m -77.39 -34.55 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.605 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 98.4 m-85 68.94 -73.44 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.961 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m 42.02 73.71 0.86 Allowed Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 123.443 0.697 . . . . 0.0 112.294 -177.635 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.77 64.47 3.14 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.537 2.158 . . . . 0.0 111.801 178.645 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -166.48 -31.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.705 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 m -107.57 -8.52 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 178.694 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 p -94.59 149.75 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 0.0 110.734 -178.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.3 147.79 32.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.9 mt -111.27 118.88 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -100.76 161.69 13.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.244 -177.559 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -126.31 157.12 39.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.196 -175.185 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.25 -141.2 15.22 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.305 175.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.3 147.11 34.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -176.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.41 112.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.213 -176.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 104.59 -4.31 43.16 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.851 177.281 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.1 t -88.01 106.93 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.955 0.378 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.454 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.6 m-85 -98.67 26.08 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 178.502 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.596 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 21.0 m -67.15 -26.9 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.824 -175.848 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -155.97 94.05 1.5 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.985 0.421 . . . . 0.0 110.038 -178.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 52.2 m -106.63 153.53 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 -179.11 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -112.91 133.27 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 110.521 -177.297 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -84.58 100.85 11.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.308 175.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 m -111.96 141.5 45.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.878 178.203 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -108.85 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.013 0.435 . . . . 0.0 110.805 -178.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -110.25 153.02 25.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.545 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.04 34.54 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.104 -169.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -121.3 14.49 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 176.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 6.9 m -95.7 117.09 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.601 -179.522 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.45 ' HB2' ' OG ' ' A' ' 68' ' ' SER . 33.1 m80 -94.22 143.97 25.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.882 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 m -61.17 116.95 4.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 -179.416 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.74 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.166 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.948 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.54 148.81 16.86 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.489 -176.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.875 HD13 HD12 ' A' ' 92' ' ' LEU . 62.4 tp -131.55 124.34 29.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.003 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.0 m -104.41 96.86 6.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.36 178.441 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 60.7 m -86.48 145.34 26.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.3 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.02 105.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 178.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.099 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.655 HD11 ' HE3' ' A' ' 53' ' ' LYS . 95.7 mt . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -154.31 150.03 27.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.158 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.95 0.4 7.45 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.488 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -91.34 -17.79 25.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -178.923 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.48 146.26 65.4 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 -177.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.28 -15.4 31.55 Favored 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 123.309 2.673 . . . . 0.0 113.458 -174.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -110.65 20.51 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.46 -179.164 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -99.25 124.36 44.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.658 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -106.75 141.85 37.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.883 0.373 . . . . 0.0 111.273 -177.002 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.88 154.23 38.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.167 178.621 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 84' ' ' LEU . 5.5 ptp180 -144.63 169.01 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.6 mt -117.31 136.43 53.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.254 174.095 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 p -62.84 155.99 25.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.815 -177.648 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 8.6 ptp85 -68.09 64.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.886 -179.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 t -79.14 -60.96 2.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.113 178.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -144.36 -74.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 109.751 178.671 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 48.3 t -105.44 163.8 12.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.033 177.579 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -72.92 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.455 -178.613 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.9 m -102.69 11.49 37.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.491 -178.164 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 20.1 pt20 -152.89 131.65 12.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.039 0.447 . . . . 0.0 111.399 -179.697 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.46 -154.93 25.96 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.342 178.022 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.648 ' HG3' HD12 ' A' ' 96' ' ' LEU . 92.7 mt-30 -88.87 133.84 34.15 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.586 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 tp -80.69 116.94 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -111.11 135.71 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.831 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.94 152.05 22.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -177.606 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -93.74 106.76 18.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 178.583 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 105' ' ' ILE . 50.0 mt -99.21 -168.92 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.0 mttt -63.75 -36.68 84.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.386 177.724 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -51.09 10.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.187 178.083 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.62 -147.43 12.02 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.513 177.46 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -86.6 121.8 29.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -177.365 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -136.14 143.15 44.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.629 179.447 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.8 ttp -80.29 133.38 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.363 -179.033 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.18 132.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 -177.485 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -86.22 134.26 33.79 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.012 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 8.6 p -78.51 20.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.074 0.464 . . . . 0.0 111.71 -176.023 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -110.82 33.36 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.0 0.905 . . . . 0.0 108.727 174.928 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -108.52 157.06 18.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.108 -175.836 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 60.55 -89.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.15 0.906 . . . . 0.0 111.764 176.45 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.16 1.18 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.819 179.285 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -104.18 121.27 42.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.815 -179.175 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -89.46 176.51 6.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.682 175.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 m -77.43 61.72 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.153 0.501 . . . . 0.0 110.621 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -164.49 155.17 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.711 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.26 110.11 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -76.91 159.97 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -178.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.67 53.65 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.086 0.469 . . . . 0.0 111.376 -173.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -175.19 78.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.229 171.761 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.01 -4.0 4.56 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.697 2.265 . . . . 0.0 112.098 177.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.852 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.4 m -64.87 -12.32 47.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.391 -174.72 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -63.32 -19.82 64.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.637 0.256 . . . . 0.0 111.456 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.45 19.35 15.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 111.255 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.7 p -55.62 -46.49 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.452 -179.701 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.42 -31.3 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 -179.249 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.03 -48.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.185 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.4 m -62.64 -37.69 87.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.062 177.533 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.53 -40.64 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.394 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -60.65 -33.81 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.946 176.351 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 36' ' ' ARG . 80.3 mt -87.7 6.83 32.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.469 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.28 43.95 4.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.701 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.3 m -117.48 -176.53 3.03 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.899 178.014 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.13 -150.8 27.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.206 179.154 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.25 149.14 97.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 111.526 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.852 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 59.5 Cg_endo -80.39 123.47 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.012 2.474 . . . . 0.0 112.639 179.197 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.87 -46.91 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.954 -177.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 m -133.98 143.22 48.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.003 -175.267 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.98 99.49 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.08 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.87 -153.49 9.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.028 -177.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.47 83.53 2.21 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.883 2.389 . . . . 0.0 112.777 -178.307 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.02 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 83.4 m-85 -112.74 136.63 52.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 47' ' ' GLN . 87.6 mt 67.26 167.61 0.24 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.771 0.669 . . . . 0.0 110.996 -176.562 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 63.2 mttp -142.29 126.91 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -177.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 m -126.46 -41.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 110.329 175.154 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 67.9 m-85 61.81 14.53 6.31 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.05 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -87.62 108.79 22.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 178.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.37 -6.63 18.03 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.945 2.43 . . . . 0.0 112.483 -176.514 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -84.21 -22.06 31.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.097 178.754 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 m -108.97 -36.65 6.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.878 -178.127 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -84.17 150.75 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.084 -175.482 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 52' ' ' LEU . 36.3 pt -130.05 147.82 33.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.963 177.788 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.6 mt -112.3 126.55 69.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 173.253 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.0 t -112.64 148.37 34.77 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.742 -175.065 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.35 164.05 12.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.259 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.9 -148.66 17.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.315 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -82.71 142.53 31.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.523 0.329 . . . . 0.0 110.912 -176.377 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.24 105.7 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.581 -179.47 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 -17.45 7.28 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.178 -178.319 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.3 t -91.02 123.13 34.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.0 110.702 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 90.8 m-85 -114.39 26.57 10.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.186 -179.476 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -84.41 -14.16 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.37 -176.304 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -140.2 75.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.182 179.359 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 10.1 m -113.06 151.54 30.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.781 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.2 p -136.06 165.63 25.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.932 0.396 . . . . 0.0 110.647 -179.182 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.76 138.58 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.09 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -67.24 103.18 1.18 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.691 -175.783 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -87.71 34.04 0.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.428 0.632 . . . . 0.0 110.317 174.867 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.442 HD22 ' HG2' ' A' ' 124' ' ' MET . 4.2 p-10 -143.8 148.76 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.36 -179.184 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -94.41 63.6 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.906 0.86 . . . . 0.0 111.008 -172.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.442 ' HG2' HD22 ' A' ' 122' ' ' ASN . 23.8 ptt? -164.13 123.56 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.892 171.42 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.1 t -165.55 130.26 2.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 0.0 111.015 -177.52 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -111.32 132.71 54.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.48 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.431 ' HB2' ' HG2' ' A' ' 47' ' ' GLN . 3.3 p -68.12 140.15 56.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.169 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.477 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 1.02 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -91.59 113.25 4.3 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.684 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.542 ' HB3' HD21 ' A' ' 37' ' ' LEU . 45.0 tp -105.66 131.71 52.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.909 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.9 m -124.33 105.99 9.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.005 178.159 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 9.1 m -105.68 154.64 20.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 -178.56 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.0 mt -64.46 141.59 58.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.275 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.872 -179.366 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 121.062 0.458 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.0 m -90.3 142.41 27.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.262 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.669 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -79.02 18.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 111.491 -176.62 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -105.63 -13.99 15.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.767 173.056 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 69.2 m-20 -77.57 137.09 63.35 Favored Pre-proline 0 C--O 1.231 0.112 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -176.497 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.3 Cg_exo -48.24 -50.18 12.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.297 2.665 . . . . 0.0 113.655 -172.409 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.02 12.33 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.024 -171.858 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 91.8 t80 -67.15 113.47 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.868 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.9 121.72 41.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.223 0.535 . . . . 0.0 111.073 -175.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.57 148.99 43.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.28 175.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.33 159.14 41.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.909 0.385 . . . . 0.0 110.095 -178.498 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 130' ' ' LEU . 86.9 mt -111.93 138.62 48.31 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.301 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 61.7 p -60.8 155.68 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.315 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' NH2' ' HD3' ' A' ' 43' ' ' LYS . 18.3 mmm180 -53.97 -55.41 27.37 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.162 0.288 . . . . 0.0 110.67 -175.26 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 53.65 -95.21 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.901 0.751 . . . . 0.0 112.296 173.847 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -136.88 -24.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.771 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 39.4 t -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.359 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 27.8 mmmt -77.71 11.42 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -173.714 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 1.0 OUTLIER -145.19 22.47 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.339 179.381 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.771 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 10.1 pt20 -155.28 112.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.403 0.62 . . . . 0.0 110.625 176.203 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.12 -161.08 28.49 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.385 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.5 mp0 -73.47 141.99 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.86 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -89.3 109.64 20.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 0.0 110.795 -177.081 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.8 120.69 43.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.408 174.067 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.53 152.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -176.749 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -89.53 104.65 17.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.379 179.314 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD11 HD13 ' A' ' 105' ' ' ILE . 90.1 mt -85.55 177.99 7.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.1 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tptp -79.47 48.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.565 0.698 . . . . 0.0 110.237 -178.029 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -167.33 -36.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.528 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.01 -168.89 42.02 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.027 177.621 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -86.39 131.66 34.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.723 0.297 . . . . 0.0 110.286 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -140.11 141.9 36.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 -179.318 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptm -80.22 136.77 36.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.763 -179.657 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -84.86 143.54 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.59 145.25 31.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.139 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 68' ' ' SER . 92.8 p -81.31 56.27 2.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.197 0.523 . . . . 0.0 111.201 -175.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -156.0 46.96 0.47 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.298 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 m -120.14 161.76 20.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.236 -175.554 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.12 31.04 20.95 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.471 0.482 . . . . 0.0 112.28 175.489 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 27.5 73.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.451 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -104.81 146.02 29.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.98 0.419 . . . . 0.0 110.519 178.43 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.1 m -74.45 171.22 14.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.277 -178.79 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 61' ' ' SER . 19.8 m -77.98 -5.94 52.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.216 -176.318 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -95.31 149.22 21.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 175.339 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.09 115.62 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 -176.456 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.9 p90 -77.45 166.85 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.607 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.05 27.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.093 -171.66 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.1 65.09 68.42 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -177.163 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -92.34 -13.3 1.59 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.687 2.258 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 12.4 p -75.43 7.17 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.105 -175.864 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -82.62 -19.31 38.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.159 0.504 . . . . 0.0 110.188 178.731 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.13 14.48 23.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.338 -175.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 43.7 m -53.54 -36.71 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.288 179.522 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.83 -37.78 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.822 -178.524 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.55 -47.39 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.814 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 23.4 m -59.89 -41.98 92.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.156 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 78' ' ' SER . 98.6 mt-30 -62.36 -43.02 99.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.166 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -73.91 -13.89 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.471 -178.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.29 10.08 35.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.611 172.37 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 62.41 38.74 12.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.335 -178.895 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.64 174.96 5.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.109 178.323 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.81 -109.52 0.85 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.185 -177.041 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.16 153.68 37.89 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 -174.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.3 Cg_endo -82.25 104.99 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.646 2.23 . . . . 0.0 111.483 175.269 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.96 -36.98 75.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.414 -176.266 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.9 m -154.74 149.48 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.138 -178.541 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 130' ' ' LEU . 9.1 tt -148.59 117.73 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.075 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.74 -143.95 10.73 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.03 99.56 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.191 1.928 . . . . 0.0 111.763 178.253 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 75.2 t80 -97.63 -56.51 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.13 -178.367 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 30.6 mt -129.61 -178.76 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.028 178.425 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 61.2 mttp -123.76 57.36 1.19 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.15 0.5 . . . . 0.0 110.25 -175.793 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -67.48 -46.33 73.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.457 178.694 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 39.5 m-85 53.15 82.82 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.879 179.333 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 m -109.0 86.98 4.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 7.8 Cg_exo -73.39 53.27 2.57 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.455 2.77 . . . . 0.0 112.778 -174.474 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -156.73 -59.9 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.302 176.123 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -82.86 -12.37 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -177.342 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.442 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 27.2 t -69.84 139.44 53.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.61 HD13 HD11 ' A' ' 52' ' ' LEU . 31.6 pt -123.57 129.63 74.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.293 0.568 . . . . 0.0 111.671 -177.306 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.0 mt -96.82 119.23 44.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 167.948 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 6.4 t -109.72 136.57 48.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.126 0.489 . . . . 0.0 110.848 -174.686 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -105.28 149.91 25.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.102 -178.631 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.82 -139.49 10.78 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.144 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.954 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -109.86 134.66 51.82 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.826 -0.22 . . . . 0.0 110.699 -178.688 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.95 103.22 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.932 0.77 . . . . 0.0 110.796 177.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.669 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 134.01 -20.94 3.98 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.337 -177.104 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 9.5 t -127.04 126.05 42.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 -178.221 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -90.51 71.93 6.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 0.0 109.378 176.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -82.83 -59.84 2.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.421 -176.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -117.45 78.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.574 -173.515 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 23.6 m -96.6 132.34 42.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 -177.667 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.8 m -111.54 138.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.134 0.492 . . . . 0.0 111.549 -176.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -71.65 110.68 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.471 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.0 m -112.81 132.21 55.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.251 0.548 . . . . 0.0 112.206 -168.115 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -99.53 46.56 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.644 175.567 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -109.96 144.93 37.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.18 0.514 . . . . 0.0 111.927 -174.061 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.28 4.63 10.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.122 173.003 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mtt -80.33 -8.28 59.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.448 0.642 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.52 146.41 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -90.92 155.34 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.956 0.408 . . . . 0.0 110.388 -173.736 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -73.78 122.55 22.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.713 -177.615 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 61' ' ' SER . 8.2 tt -82.29 125.83 31.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.279 0.562 . . . . 0.0 110.506 -176.297 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -124.78 158.61 19.33 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.792 177.216 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 92' ' ' LEU . 58.1 tp -121.99 126.19 48.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.551 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 m -108.44 101.73 10.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.297 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.6 m -102.45 134.25 46.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.804 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.02 111.22 2.77 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.689 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.249 -179.287 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -119.52 153.03 35.99 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -74.22 12.27 0.77 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.757 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -109.76 -6.15 15.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.984 0.421 . . . . 0.0 109.997 177.443 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 39.9 m-20 -75.54 141.79 73.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 -178.889 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 52.8 Cg_exo -52.58 -50.62 13.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.732 2.288 . . . . 0.0 112.774 -172.427 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -97.11 20.26 11.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.948 -172.335 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 60.1 t80 -64.74 129.71 40.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.881 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 31.1 mm-40 -103.66 116.69 32.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -175.72 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.35 154.42 40.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.169 178.71 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -152.99 164.0 38.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.402 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -110.21 61.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.94 0.4 . . . . 0.0 110.441 178.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.489 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 74.0 p 47.69 -163.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.283 178.651 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -104.84 39.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.505 176.23 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 p -59.59 -73.38 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.933 -174.647 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -170.38 -61.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.307 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.614 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 26.7 t -100.77 151.54 21.56 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.299 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.894 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -88.23 9.51 22.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.796 0.332 . . . . 0.0 110.512 -179.111 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.6 m -120.07 12.92 12.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.985 176.605 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -153.37 138.9 17.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.452 173.346 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.77 -151.32 23.51 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.903 178.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB2' HG21 ' A' ' 38' ' ' THR . 24.9 mp0 -102.13 136.45 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.717 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 tp -78.95 113.04 16.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.534 -175.045 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 38' ' ' THR . 48.8 mt-10 -106.4 136.77 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.209 171.27 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.85 153.13 29.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.072 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.8 t80 -95.47 109.8 21.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.436 178.795 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -95.93 -175.58 3.45 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.214 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.04 -30.29 70.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.264 0.554 . . . . 0.0 109.619 178.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.58 -3.98 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.015 178.411 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.4 -162.36 12.68 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.827 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -80.2 129.16 34.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.548 0.213 . . . . 0.0 110.643 -179.445 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -144.76 151.11 38.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.831 178.944 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' HG12 ' A' ' 105' ' ' ILE . 77.6 mtp -80.98 144.22 31.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.269 -177.516 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.65 132.76 35.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.654 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.16 139.9 30.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . 14.5 m -63.89 -19.29 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.058 -175.852 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -87.08 54.52 3.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 0.0 109.74 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -120.69 153.22 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -179.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 57.84 -100.34 0.11 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.742 177.169 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.61 31.82 2.7 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 178.328 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -104.04 125.83 50.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.057 0.456 . . . . 0.0 110.815 -179.489 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -95.43 177.29 5.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 94' ' ' PRO . 72.5 m -79.19 59.94 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 110.165 177.633 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -157.07 168.04 28.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -90.12 106.26 18.36 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -69.9 150.33 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.169 178.399 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.66 -33.57 47.67 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.55 -1.204 . . . . 0.0 113.398 -169.207 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.55 85.03 48.39 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 -175.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.82 -7.4 11.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.825 2.35 . . . . 0.0 111.967 178.078 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.452 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.2 m -89.13 44.93 1.24 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.622 -174.845 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -11.67 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.358 176.647 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.04 21.74 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.054 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 m -56.6 -36.07 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.234 -179.61 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 59.8 tptt -58.65 -42.46 88.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 177.745 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.74 -48.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.18 179.629 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.12 -37.27 76.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.115 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -66.47 -40.85 89.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 24.7 mmm180 -67.29 -27.24 67.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.768 0.318 . . . . 0.0 110.482 178.354 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 43' ' ' LYS . 61.3 mt -88.81 5.41 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 178.304 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.12 49.4 3.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.181 177.31 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -136.5 176.19 8.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.394 176.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.97 -152.98 9.16 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.985 -177.099 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 6.5 m-20 -71.42 155.56 92.6 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 122.546 0.339 . . . . 0.0 111.28 -174.805 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.9 Cg_exo -71.87 116.45 4.71 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.094 2.529 . . . . 0.0 112.111 177.286 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.43 -48.73 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.471 -179.043 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 p -142.08 145.74 34.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 -177.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tt -153.15 119.11 5.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.84 -153.99 25.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.75 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 38.5 Cg_exo -61.66 100.96 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.919 2.412 . . . . 0.0 111.752 179.255 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.814 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -94.5 -37.75 11.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -175.894 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.76 136.42 46.33 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.936 -176.762 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.794 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 0.0 OUTLIER -89.13 60.3 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.009 0.909 . . . . 0.0 109.561 174.515 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 m -65.88 -44.12 86.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.163 -174.454 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 53.13 61.7 3.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.09 0.471 . . . . 0.0 110.81 -175.767 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.0 m -148.03 97.39 3.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.012 0.434 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 123' ' ' ASP . 87.9 Cg_endo -84.13 48.25 2.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.812 2.341 . . . . 0.0 112.364 -178.928 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -127.33 28.36 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 110.003 -178.759 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 t -174.43 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.991 -179.334 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 p -83.11 149.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.231 -178.748 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 58' ' ' MET . 29.3 pt -126.85 150.86 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.208 178.391 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.3 mt -110.03 124.2 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.807 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 1.7 t -106.76 147.6 29.45 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.11 -177.163 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -118.22 152.81 34.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -177.671 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.07 -128.72 7.15 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.488 -179.422 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -112.77 139.07 48.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.518 0.199 . . . . 0.0 110.622 -176.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.41 114.11 1.14 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.122 179.398 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.6 -7.12 31.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.325 -179.563 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -109.46 117.54 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 178.056 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.12 46.1 0.93 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.785 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 p -63.33 -52.93 59.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.723 -174.599 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -144.73 95.46 2.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.184 0.516 . . . . 0.0 110.073 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 5.6 m -99.79 146.66 26.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.715 179.608 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -112.2 142.59 44.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -175.299 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -74.68 109.46 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.681 177.845 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -63.01 127.1 29.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.504 -176.115 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -102.1 8.23 40.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 175.061 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -109.77 134.55 51.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 p30 -78.23 -7.98 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.028 -177.256 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.0 tpt -72.94 78.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.642 175.63 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 t -146.4 142.68 28.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.057 -175.821 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.794 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 28.2 m170 -117.68 132.97 56.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.049 175.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.2 m -70.25 126.68 30.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 61' ' ' SER . 24.1 tp -71.66 116.83 12.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 -178.397 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.814 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.61 139.97 14.92 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.117 -179.482 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 tp -126.17 136.45 52.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.9 m -132.13 108.3 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.58 177.561 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 27.1 m -99.83 143.24 30.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.783 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.42 103.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 111.532 -177.406 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.7 176.126 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 115' ' ' SER . 97.0 mt . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 32.7 t -100.32 157.3 16.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -177.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.49 13.78 0.9 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 111.347 178.774 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -106.77 -2.96 20.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.032 171.001 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.99 124.54 74.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.329 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.73 -17.78 60.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.111 2.541 . . . . 0.0 112.627 -176.793 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -106.33 19.26 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.291 179.125 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.28 121.38 20.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.968 177.453 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.65 112.84 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -176.125 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 161.94 39.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -141.1 154.46 45.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.3 mt -107.39 137.49 45.33 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 171.455 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.0 p -56.28 141.4 41.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.589 -176.128 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -72.12 78.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.01 179.11 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.4 p -88.56 -44.98 10.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.307 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -169.66 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.261 -175.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 30.0 t -139.3 144.84 38.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.159 173.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -72.63 -0.17 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.732 0.301 . . . . 0.0 110.966 -176.607 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.852 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 79.4 m -112.37 21.35 15.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.823 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 13.8 pt20 -157.81 132.99 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.55 174.749 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.08 -163.44 30.15 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.69 144.24 49.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.722 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 tp -88.11 112.39 22.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.991 0.424 . . . . 0.0 110.449 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.77 124.68 52.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.624 175.813 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.35 154.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -176.153 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -94.6 114.18 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.22 -179.679 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 105' ' ' ILE . 88.6 mt -108.45 -177.16 3.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.098 178.211 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.37 -34.6 66.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.904 177.328 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -100.5 24.83 8.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -177.215 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.17 -165.36 19.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.259 174.383 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -75.02 134.59 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -136.01 149.28 48.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.111 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.439 ' HE2' ' HB3' ' A' ' 58' ' ' MET . 75.5 mtp -86.94 130.44 34.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -80.84 125.17 39.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.063 0.458 . . . . 0.0 110.439 178.458 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.42 140.46 29.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.098 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.723 ' HA ' HD12 ' A' ' 128' ' ' LEU . 86.2 p -74.05 0.62 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.764 0.316 . . . . 0.0 111.762 -175.318 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 7.7 mm-40 -88.51 10.65 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.071 176.27 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 m -82.06 134.82 35.37 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 70.56 -44.69 0.58 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.937 0.895 . . . . 0.0 111.13 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.78 162.89 31.05 Favored Glycine 0 N--CA 1.437 -1.278 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 174.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -79.5 87.99 5.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.387 0.594 . . . . 0.0 110.079 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 11.7 m -79.91 69.23 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.873 -176.064 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -83.96 -11.11 57.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.802 0.811 . . . . 0.0 109.2 171.181 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -122.36 161.31 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.894 177.212 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -85.07 136.86 33.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.355 . . . . 0.0 110.579 -178.43 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -85.94 137.13 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.107 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.85 23.0 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.632 0.729 . . . . 0.0 110.846 -176.772 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' HE21 ' A' ' 76' ' ' GLN . 25.7 t0 -131.92 70.35 80.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.408 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -83.81 -15.94 6.79 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.337 2.025 . . . . 0.0 113.138 -172.321 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.1 m -78.58 22.99 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.468 -175.865 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.402 HE21 ' CG ' ' A' ' 73' ' ' ASP . 87.6 mm-40 -77.79 -21.96 50.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.111 0.481 . . . . 0.0 109.847 175.032 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.04 35.16 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.437 -177.278 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -59.79 -40.2 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.566 -178.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 38.5 mmtm -62.6 -29.69 70.79 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.56 -50.5 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.527 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 70.1 m -60.67 -35.14 75.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.676 177.074 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -36.71 84.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 178.168 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 13.9 mmm180 -67.4 -35.27 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.538 0.209 . . . . 0.0 110.614 178.461 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.09 -0.43 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.621 177.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 61.63 52.01 3.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.809 178.574 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.03 -179.58 4.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.02 -170.41 33.06 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.621 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.4 t70 -69.72 146.04 95.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.355 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 53.2 Cg_exo -47.58 125.05 10.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.749 2.966 . . . . 0.0 113.051 178.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.59 -44.91 10.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.441 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 m -145.56 150.41 36.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.657 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.76 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -147.99 134.98 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.474 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.82 -153.87 25.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.899 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.81 109.79 2.2 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.148 1.899 . . . . 0.0 111.453 178.328 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.828 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.1 t80 -94.09 -53.44 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.862 -173.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.71 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 23.8 tp -144.96 -178.71 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.851 -176.045 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.71 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 96.1 mttt -133.32 86.43 2.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.555 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.2 m -81.96 -26.64 33.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.306 -178.398 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 79.1 m-85 52.75 67.45 0.99 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 178.692 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.7 m -124.78 81.49 61.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.629 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.43 -40.63 53.58 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.632 2.888 . . . . 0.0 114.331 -171.325 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.4 -41.12 96.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 0.0 111.222 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 m -89.06 -28.62 20.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.788 -173.1 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 34.3 p -75.18 140.79 43.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.848 0.356 . . . . 0.0 111.335 -177.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 HD11 ' A' ' 52' ' ' LEU . 37.6 pt -129.47 153.18 38.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.6 mt -117.87 124.75 73.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.77 174.118 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -98.57 150.27 21.89 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.198 179.292 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -149.93 166.71 28.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.431 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.63 -81.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 179.627 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.36 127.15 48.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.731 0.301 . . . . 0.0 110.771 -176.403 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.89 125.2 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.932 -177.584 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.633 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 95.9 -16.66 60.74 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.768 177.498 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -88.59 105.08 17.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.014 0.435 . . . . 0.0 110.521 -178.217 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.483 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 98.1 m-85 -90.88 16.43 9.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.257 179.164 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.42 ' HB2' ' N ' ' A' ' 26' ' ' LEU . 7.0 t -95.4 2.11 54.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.726 -179.905 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -138.97 69.86 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 0.0 109.323 -178.731 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 13.4 m -131.41 166.15 21.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.373 -176.162 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.9 m -148.68 140.16 23.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.395 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -80.84 68.93 7.28 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.047 0.927 . . . . 0.0 111.268 -178.509 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.2 t -69.59 112.75 6.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.85 177.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -82.35 72.4 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.017 -176.357 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.17 164.14 11.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.048 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -106.27 28.51 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -177.567 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.76 24.98 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 176.513 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.5 t -91.96 120.79 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.678 -171.723 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.476 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 45.6 m80 -107.42 136.34 47.37 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 175.038 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -76.92 120.41 22.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.994 0.426 . . . . 0.0 110.59 -175.045 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.7 tt -76.99 134.0 38.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.536 -177.269 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.828 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -129.65 154.35 20.38 Favored Glycine 0 N--CA 1.439 -1.111 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.637 -178.26 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.76 HD13 HD12 ' A' ' 92' ' ' LEU . 57.7 tp -124.12 132.09 53.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.909 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 m -113.57 102.68 10.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.198 178.521 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.852 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 62.8 m -86.35 148.08 25.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.388 179.364 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 tt -73.61 94.55 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.776 -178.263 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 88.4 mt . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 120.854 0.359 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 29' ' ' TYR . 69.1 p -132.49 164.9 25.55 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.23 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.727 178.716 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.2 m-85 -132.9 12.8 4.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.474 173.633 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.3 m-20 -99.74 139.96 21.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.813 176.336 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 18.7 Cg_exo -66.28 -13.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.096 2.531 . . . . 0.0 112.333 -179.434 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.34 -6.91 57.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 178.311 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -80.16 116.87 20.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.019 0.438 . . . . 0.0 110.777 -176.202 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -119.87 135.01 55.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.077 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -142.31 156.24 45.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.735 -178.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 8.6 ptp180 -147.27 155.64 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.405 178.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.84 91.2 3.57 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -58.17 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -160.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -137.33 90.55 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.265 -173.067 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.6 p -118.21 -71.43 0.74 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.254 0.55 . . . . 0.0 110.275 176.547 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.94 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.908 -178.803 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 32.5 t -129.64 168.08 17.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.348 178.572 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -97.57 -1.24 44.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.431 -174.078 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 134' ' ' GLU . 76.5 m -117.04 18.15 14.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.573 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 1.4 pp0? -161.81 146.12 12.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 177.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.72 28.06 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.85 176.478 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG3' HD12 ' A' ' 96' ' ' LEU . 85.6 mt-30 -66.69 124.46 22.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.71 0.291 . . . . 0.0 110.455 179.138 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -82.36 106.45 14.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.5 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -109.33 125.32 52.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.686 174.288 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.69 151.96 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.561 -177.471 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -95.24 119.14 33.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.11 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.5 mt -114.84 -173.04 2.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -46.41 -45.11 17.74 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.149 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 17.61 20.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.042 0.448 . . . . 0.0 111.463 -173.472 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.28 -161.6 12.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.611 175.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -77.57 141.24 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -176.384 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -142.06 144.32 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 79.5 mtp -80.73 125.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.987 179.524 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.84 124.61 35.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.546 -179.575 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.54 135.91 33.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.551 178.452 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -69.76 -8.88 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.042 0.449 . . . . 0.0 111.253 -177.445 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 11.1 mm-40 -77.54 -7.67 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 177.472 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -66.95 150.5 49.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.801 -179.684 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.3 m0 73.14 -53.6 0.7 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.063 172.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.77 41.79 0.46 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.883 -1.151 . . . . 0.0 114.004 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.76 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER 37.76 83.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.352 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.0 m -102.92 110.71 22.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -97.36 -12.41 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.92 165.88 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.278 178.056 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.507 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -91.2 150.67 21.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.994 179.797 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -97.18 140.27 31.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 -178.649 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.33 -19.07 47.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.766 -178.486 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -126.82 90.4 49.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 -177.561 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -96.56 18.59 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.241 2.627 . . . . 0.0 112.355 177.498 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.6 m -71.04 -1.45 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.814 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.42 -6.04 55.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.257 0.551 . . . . 0.0 110.514 174.623 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.41 10.79 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -56.05 -32.96 64.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 45.2 mmtm -67.32 -32.45 73.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.087 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.2 t -65.31 -48.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.291 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.1 m -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.147 176.67 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -45.28 95.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.061 178.819 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 23.9 mmm180 -66.89 -22.75 65.96 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.779 -178.707 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.47 0.44 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.793 175.138 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.09 42.48 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -178.252 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.1 m -114.06 172.46 6.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.658 177.697 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.65 -164.57 31.48 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.066 -177.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.62 149.09 64.06 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.893 0.477 . . . . 0.0 111.936 -176.112 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 65.1 Cg_endo -76.3 129.59 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.09 2.527 . . . . 0.0 112.398 -179.412 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 133' ' ' LEU . 81.6 mt -98.09 -43.02 7.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.558 -176.09 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 130' ' ' LEU . 45.9 m -148.37 148.86 30.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 111.223 -176.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 130' ' ' LEU . 23.1 tp -141.37 131.71 25.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.536 178.246 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.91 -173.07 41.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.249 178.232 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.98 99.56 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.646 2.231 . . . . 0.0 111.256 176.331 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 67.0 t80 -86.9 -38.79 16.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -173.86 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' HG3' ' A' ' 47' ' ' GLN . 90.1 mt -131.89 150.69 52.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 -177.751 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -110.04 83.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.537 178.879 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -89.34 -31.65 17.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.085 -174.278 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 47.29 65.76 1.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 111.566 -176.849 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 m -129.95 90.5 42.49 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.013 0.435 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -78.42 63.7 8.43 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.429 2.753 . . . . 0.0 112.132 -175.73 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -141.04 -72.52 0.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.448 -179.481 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 m -81.01 -16.83 52.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.182 -176.732 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 52.9 p -77.89 147.63 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -177.112 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.02 139.89 49.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 tt -107.77 121.66 61.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 170.589 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.02 153.95 23.88 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.661 -174.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.08 148.51 48.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.449 -179.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.35 -96.01 0.2 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.819 -177.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -140.27 158.88 43.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.677 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.83 116.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.318 -177.506 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.85 3.28 64.21 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.919 177.53 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.6 t -91.9 126.21 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.819 0.343 . . . . 0.0 110.5 178.734 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 93.1 m-85 -124.89 23.49 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 178.15 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 8.3 t -76.79 -22.86 53.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.21 -172.686 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -149.56 88.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.471 0.653 . . . . 0.0 110.082 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 4.5 m -122.52 159.11 28.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.562 -177.678 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -129.66 144.63 51.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.49 0.186 . . . . 0.0 110.51 -179.59 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.58 125.45 26.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 110.075 179.707 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.1 p -76.68 110.85 11.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.98 -173.074 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -94.85 -14.88 24.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.169 0.509 . . . . 0.0 109.982 175.655 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -92.02 117.33 29.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.331 174.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -78.91 64.47 3.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.817 -171.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.1 mmt -109.34 23.97 13.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.167 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.789 -164.75 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -127.24 134.3 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 171.302 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -76.98 120.89 22.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.031 0.443 . . . . 0.0 111.329 -173.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 tp -76.49 135.01 39.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.04 -178.956 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -131.76 150.96 19.64 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.642 177.648 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 92' ' ' LEU . 63.4 tp -123.24 137.56 54.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.613 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.0 m -112.03 111.97 23.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.327 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.16 153.63 23.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.046 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 90' ' ' LEU . 32.2 mt -56.41 122.89 12.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 44' ' ' CYS . 15.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.219 -179.455 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 m -148.75 155.75 41.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.698 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.88 21.79 0.3 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.059 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -116.09 -0.95 12.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 174.245 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.74 143.61 30.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.56 -25.09 15.4 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.948 2.432 . . . . 0.0 112.252 -177.109 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.61 -1.95 54.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -90.98 99.16 12.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.139 0.495 . . . . 0.0 111.142 -178.308 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.57 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.907 179.721 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD21 ' A' ' 84' ' ' LEU . 4.4 ptp180 -143.53 157.68 44.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.444 . . . . 0.0 110.376 -178.486 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.7 mt -102.21 120.46 40.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 168.691 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.5 p -57.71 152.35 15.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.632 0.73 . . . . 0.0 112.846 -169.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -70.14 55.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.212 176.661 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m -95.84 -27.24 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.197 -177.831 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -161.2 -65.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 -177.893 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 35.1 t -136.38 155.49 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.116 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 84' ' ' LEU . 12.6 pttm -70.79 -11.72 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -176.368 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.481 ' HB2' ' OE2' ' A' ' 134' ' ' GLU . 77.6 m -106.97 -5.85 17.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.252 -178.087 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 12.4 pt20 -151.48 114.81 4.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.528 0.68 . . . . 0.0 111.267 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -176.52 -153.0 10.18 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.007 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.516 HE21 ' HB2' ' A' ' 96' ' ' LEU . 72.2 mt-30 -85.76 135.93 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.575 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.78 112.58 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 0.0 110.076 178.738 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -115.37 128.97 56.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -119.46 147.54 23.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.025 0.441 . . . . 0.0 111.386 -174.875 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -92.02 118.27 30.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.602 178.437 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -109.29 174.14 6.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.386 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -54.74 -38.05 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.528 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -101.12 26.73 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.291 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.83 -175.97 16.82 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.832 172.485 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.05 137.28 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 -179.591 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -132.96 143.98 49.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.276 -179.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.88 139.04 37.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.47 131.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 179.522 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 t -96.77 148.05 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.666 178.112 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.6 p -66.23 -13.09 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 -177.915 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' A' ' 66' ' ' ARG . 78.2 mm-40 -81.84 11.97 4.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 111.287 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -82.11 144.99 30.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 65.85 9.85 6.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.453 0.701 . . . . 0.0 111.447 179.366 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.69 151.43 5.46 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 1.3 mpp_? -78.99 84.7 4.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.343 0.592 . . . . 0.0 111.225 -178.816 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 129.6 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 174.484 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -89.49 -22.68 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.487 -176.121 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -108.11 -81.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.43 -177.297 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.93 173.08 13.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -174.522 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -102.68 157.49 16.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.323 177.147 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.24 -15.97 61.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.817 -167.399 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.531 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 6.4 t70 -138.81 87.62 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.015 -177.586 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.53 -21.46 25.83 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.845 2.363 . . . . 0.0 111.8 176.273 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 p -69.87 -3.71 17.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.244 -177.617 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 12.6 mm-40 -80.37 -17.5 51.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 172.941 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.37 7.54 45.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.427 -175.138 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 m -55.98 -33.99 65.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.342 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.2 mmtm -65.21 -34.37 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.306 179.858 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -64.67 -44.47 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.9 m -59.03 -38.85 80.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.12 -38.63 91.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.498 178.122 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 25.2 mmm-85 -65.82 -26.16 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.331 178.84 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 36' ' ' ARG . 4.5 mm? -92.82 2.14 56.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.244 177.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 64.56 46.99 3.05 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.446 0.641 . . . . 0.0 110.47 -178.273 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.52 179.58 5.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.255 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.55 -164.71 38.25 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.457 -179.546 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.6 151.14 53.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.773 0.429 . . . . 0.0 112.021 -176.38 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.95 117.73 2.29 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.239 2.626 . . . . 0.0 112.979 179.501 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -76.21 -31.05 58.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.05 179.64 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.7 m -154.62 152.38 29.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.239 -176.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 130' ' ' LEU . 25.6 tp -141.57 90.66 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.812 178.564 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 128' ' ' LEU . . . -161.81 -113.87 0.31 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.304 -0.951 . . . . 0.0 113.001 -175.601 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -95.9 159.92 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.845 2.363 . . . . 0.0 112.83 -179.365 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.0 t80 -142.18 -60.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 175.019 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 87.8 mt -125.19 143.5 50.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.856 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 10.0 mtmp? -92.71 70.05 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.995 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -71.59 -38.2 70.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.985 -178.378 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 76.8 m-85 50.79 44.41 27.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.863 0.363 . . . . 0.0 111.907 -178.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.4 m -116.4 90.05 28.79 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 121.144 0.497 . . . . 0.0 109.895 177.374 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.99 69.82 3.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 123.363 2.709 . . . . 0.0 112.23 -177.581 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -166.85 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.068 178.312 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 p -72.26 -39.78 68.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.476 179.236 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.4 p -88.53 126.88 35.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.283 175.734 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.2 159.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.332 -176.14 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -113.55 114.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.655 176.404 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 71.7 m -99.03 146.8 25.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.386 179.559 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -145.87 160.73 41.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 178.239 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.36 -82.01 0.27 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -138.65 143.51 39.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.024 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.41 110.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.301 0.376 . . . . 0.0 110.621 179.315 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.78 -16.27 28.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.95 -178.384 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -96.2 142.67 28.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 85.5 m-85 -124.53 27.75 6.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.411 179.26 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.3 m -62.46 -32.47 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.03 -174.706 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -136.24 108.62 7.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.032 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 23.5 m -128.05 147.45 50.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.149 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.7 m -128.59 157.77 40.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -68.58 133.05 47.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.43 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -58.31 121.6 11.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.857 -172.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 121' ' ' ARG . 1.6 mmp_? -105.25 0.36 27.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.765 176.27 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.69 122.56 46.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.857 -173.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.83 38.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.965 0.888 . . . . 0.0 111.0 -176.257 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.6 mtt -120.39 18.29 12.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.21 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.52 110.91 9.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.658 -171.617 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.86 134.57 42.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.246 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 m -66.36 116.58 7.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.152 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 93' ' ' GLY . 8.8 tt -62.58 124.93 22.25 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.747 0.654 . . . . 0.0 111.035 -171.581 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.19 119.78 5.8 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.994 -179.618 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 92' ' ' LEU . 50.5 tp -104.4 115.5 30.48 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.035 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.0 m -101.26 94.54 6.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 -177.103 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.489 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 12.5 m -99.2 150.08 22.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.141 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.21 127.78 33.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 44' ' ' CYS . 20.3 mp0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.739 169.915 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m -113.33 155.48 25.1 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.24 22.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 111.236 175.687 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HE1' ' HA ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -120.54 -4.97 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.964 174.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 8.6 m-20 -75.77 129.45 81.32 Favored Pre-proline 0 CA--C 1.519 -0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.108 178.625 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 83.5 Cg_exo -48.36 -44.62 28.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.389 2.726 . . . . 0.0 113.972 -169.237 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.03 25.67 10.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.354 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -71.4 107.53 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.847 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 72.4 mt-30 -75.14 118.65 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 111.252 -175.35 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.83 149.54 31.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.126 178.13 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 36' ' ' ARG . 5.1 ptp180 -139.07 155.73 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.092 0.472 . . . . 0.0 110.236 179.763 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -101.33 130.72 47.55 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 170.699 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -66.42 167.95 9.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.086 0.47 . . . . 0.0 111.351 -174.382 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -81.83 47.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.648 -173.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -67.71 -33.29 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -154.58 -50.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.333 174.947 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -160.5 170.1 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.966 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.766 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.62 -3.17 20.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.841 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.6 m -105.75 5.59 31.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.507 178.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 2.6 pt20 -162.25 123.86 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.986 176.433 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.45 -160.7 34.35 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.332 179.495 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.7 131.08 41.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 HD23 ' A' ' 128' ' ' LEU . 53.9 tp -78.63 115.0 18.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.086 0.47 . . . . 0.0 110.49 179.176 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -118.95 129.87 55.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' TRP . 35.9 m -120.34 153.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.959 0.409 . . . . 0.0 111.595 -173.278 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 87.8 t80 -97.5 113.04 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.853 175.811 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.51 -168.42 1.63 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.919 178.041 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.812 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.31 -41.19 72.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.416 0.627 . . . . 0.0 110.094 177.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -88.33 20.26 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.715 -178.309 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 -159.45 28.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.146 173.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 50' ' ' VAL . 88.7 m95 -81.75 117.25 21.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.048 0.452 . . . . 0.0 110.655 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.81 142.4 46.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 179.613 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtp -71.62 143.2 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.014 178.488 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.77 129.88 47.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 0.0 110.477 178.643 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.6 136.43 36.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.961 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 50.7 p -66.5 -7.0 16.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.829 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.638 ' HB3' ' HG3' ' A' ' 66' ' ' ARG . 5.9 mm100 -89.6 15.56 9.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -176.489 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.4 m -79.42 143.06 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.275 -177.203 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.47 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 4.6 m-90 60.02 17.61 6.87 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.517 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.29 93.65 0.1 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.638 ' HG3' ' HB3' ' A' ' 62' ' ' GLN . 35.9 ttp180 -73.45 82.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.5 0.667 . . . . 0.0 110.555 -178.223 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -127.64 142.17 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.382 -179.681 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 62.29 5.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 176.877 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -140.82 144.71 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.835 -175.344 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.773 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -66.3 129.67 40.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.313 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.483 ' HD1' ' HA2' ' A' ' 93' ' ' GLY . 90.6 m95 -69.43 127.19 32.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.648 . . . . 0.0 111.396 -175.104 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.82 -23.43 63.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.727 -174.62 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -121.91 88.57 47.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.529 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.04 -14.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.851 2.367 . . . . 0.0 112.014 177.123 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 50.7 m -65.95 -21.84 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.739 -175.265 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.593 ' HA ' ' HE1' ' A' ' 29' ' ' TYR . 15.8 mm100 -65.75 -13.04 58.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 176.061 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.12 13.45 27.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 110.892 177.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 40.9 t -56.55 -43.62 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.811 -177.609 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -62.2 -27.2 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.329 -175.461 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD23 ' A' ' 84' ' ' LEU . 95.9 t -64.97 -52.14 57.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.09 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.2 m -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.477 177.833 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 78' ' ' SER . 31.9 mm-40 -62.14 -47.22 85.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.638 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -70.04 -21.49 63.17 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.698 0.285 . . . . 0.0 111.726 179.708 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 80' ' ' VAL . 3.9 mm? -82.58 -3.15 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.577 173.515 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 66.94 31.79 6.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -178.205 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.59 -174.69 2.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.25 175.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.58 -143.45 10.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.511 179.193 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.44 153.01 87.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.735 0.302 . . . . 0.0 110.813 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 57.7 Cg_endo -78.69 114.48 3.46 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.932 2.421 . . . . 0.0 111.935 177.397 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.32 -49.32 13.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.084 -176.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.546 ' HB3' ' OE1' ' A' ' 70' ' ' GLN . 54.1 m -144.53 149.62 36.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 -174.894 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 130' ' ' LEU . 34.5 tp -146.58 140.06 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.373 -179.501 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.483 ' HA2' ' HD1' ' A' ' 71' ' ' TRP . . . 147.11 -157.89 27.55 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.552 178.362 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 90.91 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.933 2.422 . . . . 0.0 111.781 177.884 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.917 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.6 t80 -73.42 -75.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.978 -177.533 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' PHE . 6.2 mp -130.92 148.08 52.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.584 176.93 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HD2' ' HB3' ' A' ' 124' ' ' MET . 29.0 ttpp -91.6 90.0 7.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 m -67.58 -27.11 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.821 176.5 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HE2' ' HG2' ' A' ' 124' ' ' MET . 17.3 t80 60.03 74.47 0.44 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.468 0.652 . . . . 0.0 110.7 175.416 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 m -139.91 73.19 33.76 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.987 177.813 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 67.52 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.307 2.671 . . . . 0.0 112.794 -176.148 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -172.58 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.622 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.5 t -85.29 -4.5 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.149 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 p -106.33 141.76 37.12 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.545 179.163 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.4 pt -115.24 152.29 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.617 178.538 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.83 127.64 75.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 65.2 m -104.18 147.91 26.91 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.867 -176.674 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -147.25 163.53 36.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.05 -115.77 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.549 -177.533 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.532 ' HB2' ' OG ' ' A' ' 113' ' ' SER . 0.7 OUTLIER -90.67 148.39 22.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.392 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.9 111.89 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -175.51 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 102.8 -7.59 53.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.605 178.521 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.532 ' OG ' ' HB2' ' A' ' 110' ' ' GLN . 50.4 m -77.73 109.91 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 111.631 -179.565 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.47 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 84.4 m-85 -94.59 19.29 10.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.33 0.586 . . . . 0.0 110.007 173.864 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.4 t -91.31 -9.5 44.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.525 -178.025 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -138.07 76.12 1.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.647 -178.379 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 33.6 m -125.64 148.59 48.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.319 -178.011 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -132.11 170.32 15.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -73.64 136.52 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.595 0.236 . . . . 0.0 110.522 -179.108 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 m -84.31 85.48 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 0.0 110.066 179.3 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 121' ' ' ARG . 14.6 mmm-85 -96.72 38.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -96.49 -164.04 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -176.321 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.913 -178.83 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' ' HE2' ' A' ' 99' ' ' TYR . 62.8 mtt -105.88 86.19 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.608 -177.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.57 122.99 22.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 173.32 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -95.46 137.42 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.597 178.298 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -73.13 125.58 28.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.726 0.298 . . . . 0.0 110.274 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 56.8 tp -67.4 111.71 4.21 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.096 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.917 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.95 138.8 14.25 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.984 -177.817 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -123.3 124.51 43.14 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.38 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -108.18 108.81 20.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.332 178.838 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.9 m -106.22 146.58 30.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.87 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.56 125.03 20.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 176.701 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.807 179.914 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.0 m -95.93 155.16 16.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.001 -172.674 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.92 18.0 0.2 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.207 0.527 . . . . 0.0 111.04 176.413 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' SER . 76.4 m-85 -110.7 -6.14 14.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.021 172.857 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -74.83 138.96 73.28 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.39 -1.06 9.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.992 2.462 . . . . 0.0 112.738 -176.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -120.35 14.53 12.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.263 0.554 . . . . 0.0 110.46 178.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -81.85 136.69 35.35 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 179.847 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.46 125.11 39.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.619 -179.153 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.14 161.4 38.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 179.436 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.9 ptp180 -146.44 164.48 32.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.632 178.587 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.87 122.44 47.54 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.028 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 16.8 p -64.27 143.68 57.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 40' ' ' SER . 26.6 ptt-85 -41.92 -56.12 2.87 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.118 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 23.7 t 58.88 -78.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 110.68 -174.251 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -143.6 -40.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -125.62 146.16 49.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.534 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.628 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.06 23.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -171.932 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 47.5 t -138.92 10.66 2.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.703 0.763 . . . . 0.0 110.181 178.912 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.02 135.41 15.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 177.515 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.46 -161.15 31.52 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 119.52 -1.324 . . . . 0.0 112.83 178.577 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.515 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.5 mp0 -73.15 130.86 41.19 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.349 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.52 122.75 22.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -178.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -122.48 125.84 46.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.09 150.75 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.005 0.431 . . . . 0.0 111.241 -174.372 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -94.44 106.18 18.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.842 178.363 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -96.32 -172.74 2.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.684 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.46 -33.0 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 -179.639 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -72.57 -45.44 59.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.957 176.805 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.29 -156.01 26.76 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.479 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.2 m95 -81.16 116.49 21.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 -178.81 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.86 142.42 50.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.0 mtp -76.43 146.42 38.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.951 178.277 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.64 131.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 110.849 -179.642 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.18 144.83 25.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.969 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.562 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 95.5 p -75.88 12.36 1.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.91 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 29.6 mm-40 -94.65 7.1 46.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.078 0.466 . . . . 0.0 109.925 175.18 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 107' ' ' CYS . 50.4 m -81.92 129.78 34.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.904 -177.87 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 68.42 -62.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 -178.363 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.49 134.63 11.03 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 3.2 mpt_? -77.65 83.29 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.743 0.782 . . . . 0.0 109.407 -177.456 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 m -82.69 83.41 7.67 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.2 -170.328 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 m -79.81 -25.33 40.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 165.13 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -118.94 166.07 13.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.243 -1.344 . . . . 0.0 107.777 174.484 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -91.3 139.52 30.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.743 0.306 . . . . 0.0 111.112 -174.134 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -85.55 146.57 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.986 177.303 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.97 56.94 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.451 -174.439 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.4 t70 -156.25 81.13 3.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.986 174.533 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.51 -7.5 13.73 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.855 2.37 . . . . 0.0 111.799 177.087 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 t -59.46 -31.88 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.034 -178.238 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.47 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 84.3 mm-40 -60.58 -26.85 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 111.214 178.937 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.6 8.79 44.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.619 -175.023 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.434 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.4 t -58.85 -33.88 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.077 179.723 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 43.7 mmtm -63.65 -41.84 98.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.085 177.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.01 -46.13 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.208 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 98.1 m -58.58 -38.37 77.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 177.115 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.14 -43.94 93.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.185 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 21.0 mmm180 -67.04 -24.6 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.9 -178.817 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 3.25 55.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.311 177.834 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.41 46.83 9.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.909 0.862 . . . . 0.0 110.354 -178.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.9 174.25 6.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 -149.11 3.26 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.701 177.27 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.47 155.7 92.35 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.612 0.244 . . . . 0.0 110.951 178.46 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 2.0 Cg_endo -80.48 120.84 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.094 2.53 . . . . 0.0 111.839 178.231 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.16 -49.95 10.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.862 -178.37 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.9 p -144.96 149.56 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.03 -176.31 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 130' ' ' LEU . 26.9 tp -146.5 126.55 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.872 179.675 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.31 -144.66 14.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.228 178.276 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.49 85.75 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.369 2.046 . . . . 0.0 111.536 178.062 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.55 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 77.7 t80 -84.6 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.728 -175.667 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 127' ' ' SER . 41.1 tp -134.3 148.69 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -177.126 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD2' ' ND1' ' A' ' 126' ' ' HIS . 3.5 mppt? -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 177.413 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -72.74 -31.39 64.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 170.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.4 t80 55.63 70.05 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.582 172.24 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.2 m -150.14 81.37 6.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.96 64.29 2.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.92 2.413 . . . . 0.0 112.505 -179.044 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.457 ' HA ' ' HE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -145.0 -58.21 0.35 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.526 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -74.45 -18.05 60.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.597 178.189 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 p -96.87 144.11 27.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 pt -116.11 164.58 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.22 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -123.22 133.55 68.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.819 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.0 t -123.21 158.19 31.39 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.734 -175.235 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -148.19 165.41 31.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.78 -124.03 4.48 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -173.711 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -99.76 135.05 41.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.877 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.6 tp -54.41 111.35 0.77 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.955 -176.451 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.93 -4.11 36.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.673 177.858 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 4.1 t -117.09 118.97 33.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.107 0.479 . . . . 0.0 110.719 -179.731 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.406 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.9 m-85 -86.11 51.54 2.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.855 178.646 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -72.54 -37.68 68.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.037 -174.915 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -143.38 95.13 2.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.257 179.879 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 9.3 m -108.74 160.24 16.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.895 -179.902 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.9 m -144.63 172.27 13.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.457 ' HE1' ' HA ' ' A' ' 102' ' ' GLN . 72.4 t60 -66.61 140.26 57.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.593 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -64.93 99.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.311 0.576 . . . . 0.0 111.399 -176.723 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -96.12 17.43 15.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.295 175.226 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -104.37 120.52 41.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.083 -177.802 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.44 -31.23 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.687 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -93.07 63.73 3.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.161 0.505 . . . . 0.0 109.79 176.563 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.6 t -87.87 98.3 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.375 0.607 . . . . 0.0 110.799 -179.119 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . 0.562 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 17.7 m-70 -87.69 133.3 33.86 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.622 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 15.0 m -68.81 129.84 41.08 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.144 179.823 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 tt -75.45 110.83 10.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -109.57 132.91 11.31 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.775 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -111.61 133.63 53.73 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.331 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.5 m -122.39 106.27 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.192 178.552 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 20.4 m -95.52 158.9 15.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.004 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.61 46.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.813 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.472 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 6.8 tp10 . . . . . 0 C--O 1.253 1.255 0 O-C-N 123.817 0.698 . . . . 0.0 110.898 177.903 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 53' ' ' LYS . 6.3 mp . . . . . 0 C--O 1.223 -0.3 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 p -109.26 154.6 22.22 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.463 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.87 10.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 111.58 178.845 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.72 -9.29 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.113 172.311 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 3.1 m-20 -66.51 126.08 91.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 177.347 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.5 Cg_exo -60.22 -24.02 75.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.002 2.468 . . . . 0.0 112.691 -179.034 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -113.03 27.3 9.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.336 179.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.671 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 54.2 t80 -85.2 92.63 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 29.0 mt-30 -65.39 129.04 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.191 -176.179 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.1 150.86 36.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.129 177.168 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -140.52 152.73 45.8 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.164 0.506 . . . . 0.0 110.455 -178.819 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 97.1 mt -102.1 141.56 34.75 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 170.298 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 38.4 p -58.05 159.02 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.441 178.868 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 39' ' ' ARG . 3.2 mmp_? -74.14 56.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -177.646 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -71.39 -53.35 14.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.949 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -157.6 -61.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.532 . . . . 0.0 109.682 179.273 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 t -131.29 161.19 32.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.786 -176.418 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -72.09 -0.09 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.0 m -101.52 -3.48 28.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.829 179.473 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -157.9 130.99 7.51 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.918 -0.489 . . . . 0.0 111.753 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.87 -161.43 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.223 177.169 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 35.1 tt0 -84.16 138.25 33.1 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.538 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 tp -89.25 117.25 28.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.289 0.566 . . . . 0.0 112.156 -173.44 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -116.15 130.77 56.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.297 172.708 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.72 151.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 110.772 -178.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.2 t80 -96.0 110.6 22.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.248 179.442 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.8 178.89 6.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.331 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.7 mttt -60.37 -37.95 82.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -178.19 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD2' ' HE1' ' A' ' 57' ' ' HIS . 6.0 p-10 -82.76 -37.4 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.708 -178.912 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.07 -174.27 44.79 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 119.599 -1.286 . . . . 0.0 113.815 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.23 139.58 42.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.419 -0.391 . . . . 0.0 111.006 -177.027 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' HE1' ' OD2' ' A' ' 54' ' ' ASP . 26.6 m80 -146.28 148.15 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.078 0.466 . . . . 0.0 111.534 -179.385 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtp -83.58 130.44 34.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.021 179.087 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.02 122.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -81.12 137.24 35.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.343 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 p -76.4 41.1 0.24 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.396 0.617 . . . . 0.0 111.064 -178.863 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.559 HE21 HD11 ' A' ' 106' ' ' ILE . 10.0 pt20 -141.92 36.8 1.59 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.728 0.775 . . . . 0.0 109.226 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.6 m -102.59 160.71 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.607 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.407 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 4.6 m-90 60.7 20.79 10.79 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.032 0.533 . . . . 0.0 111.615 177.66 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 15.26 81.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.273 -178.254 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG3' HD12 ' A' ' 111' ' ' LEU . 16.0 mmt180 -96.19 133.05 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 p -79.54 160.32 26.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 m -77.78 67.83 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.148 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -139.44 135.43 33.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.265 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 53.0 tt0 -72.67 116.03 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 -176.773 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -88.62 178.42 6.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -86.8 31.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.242 -177.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t70 -155.29 87.61 3.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 -176.589 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -101.85 1.3 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.058 2.505 . . . . 0.0 112.208 171.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -81.29 -9.55 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.396 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 85.4 mm-40 -69.0 -24.55 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.651 177.844 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.73 16.91 16.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.099 -177.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 8.3 p -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.306 179.08 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -63.24 -34.01 76.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.8 -47.36 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.083 178.44 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.96 -33.0 72.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.66 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 78' ' ' SER . 79.1 mm-40 -63.03 -48.15 79.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.015 179.009 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -20.75 63.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.689 179.676 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.86 1.9 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 176.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 t30 63.13 47.96 3.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.637 179.06 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.6 m -129.61 178.18 6.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.59 -145.25 12.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.936 -178.653 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.74 150.83 96.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.748 0.309 . . . . 0.0 111.048 -177.51 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.95 111.21 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.747 2.298 . . . . 0.0 111.889 177.332 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.94 -51.14 11.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.891 -177.618 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.4 m -135.58 149.06 49.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -176.394 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 128' ' ' LEU . 6.2 tt -147.37 116.94 7.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -177.793 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.31 34.92 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.611 -178.673 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 109.42 2.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.604 2.203 . . . . 0.0 112.163 -179.396 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.438 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 86.7 t80 -96.91 -26.64 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.612 -174.565 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.74 140.34 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.74 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -94.2 58.79 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.59 0.71 . . . . 0.0 110.742 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 m -67.67 100.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.288 -177.851 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 124' ' ' MET . 55.3 m-85 -86.51 49.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 0.0 110.232 177.094 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -132.88 112.13 13.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.732 -177.622 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.62 ' HG3' ' HA ' ' A' ' 123' ' ' ASP . 17.2 Cg_endo -91.25 104.41 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.268 2.645 . . . . 0.0 112.392 178.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -149.12 -68.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.428 . . . . 0.0 110.405 177.716 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 m -112.2 25.29 11.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.309 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -95.36 142.42 27.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.279 -178.545 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.73 154.39 38.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 112.381 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.559 HD11 HE21 ' A' ' 62' ' ' GLN . 47.6 mt -118.83 125.15 74.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.079 170.765 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.0 m -93.6 140.99 28.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -117.85 139.72 50.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.141 -179.402 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.51 -150.72 16.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.048 -177.743 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -82.74 136.43 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -178.121 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.728 HD12 ' HG3' ' A' ' 66' ' ' ARG . 10.0 tt -54.49 124.19 15.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.657 -179.907 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.37 -20.47 18.61 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.679 -177.923 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.1 t -99.41 114.45 27.37 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.322 0.582 . . . . 0.0 111.145 -179.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -99.96 22.88 10.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.359 175.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.5 t -70.22 -24.67 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.884 -175.219 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -140.26 94.84 2.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 14.7 m -125.92 144.97 50.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.824 177.803 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -125.78 157.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.868 -176.113 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 127.41 32.07 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.084 179.095 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.4 p -77.73 82.26 4.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.009 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 25.7 tpt180 -77.72 80.74 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.366 0.603 . . . . 0.0 110.719 -176.023 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.628 HD22 ' HG2' ' A' ' 124' ' ' MET . 6.1 t30 -161.82 155.67 21.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.284 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.62 ' HA ' ' HG3' ' A' ' 101' ' ' PRO . 9.6 p-10 -77.28 32.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -172.618 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.639 ' HA ' ' HA ' ' A' ' 99' ' ' TYR . 13.3 ptp -163.06 146.95 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.967 179.013 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.3 t -146.97 109.13 4.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.705 170.514 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -63.21 102.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 170.902 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 m -75.59 126.78 31.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.902 0.382 . . . . 0.0 111.198 -171.92 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 92' ' ' LEU . 54.3 tp -75.62 133.92 40.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.884 178.947 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -137.98 158.25 24.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.582 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 131' ' ' THR . 3.4 tt -137.89 147.19 44.21 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.857 0.36 . . . . 0.0 110.064 -176.106 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.557 ' N ' HD23 ' A' ' 130' ' ' LEU . 37.7 m -119.4 102.0 8.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.902 177.045 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.5 ' SG ' HD22 ' A' ' 130' ' ' LEU . 19.4 m -88.94 146.31 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.073 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.51 124.44 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 178.481 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.976 -178.394 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' N ' ' HG ' ' A' ' 115' ' ' SER . 4.6 mm? . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 m -147.64 153.71 39.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.818 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -79.41 26.0 0.3 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 111.832 -176.286 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.804 ' HA ' ' HD2' ' A' ' 79' ' ' LYS . 67.2 m-85 -117.66 -0.05 11.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.839 173.293 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.58 137.67 21.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.06 -13.13 37.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.052 2.501 . . . . 0.0 112.91 -177.046 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -96.11 2.06 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.99 178.667 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -86.13 111.51 20.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 16.5 mm-40 -98.35 142.07 30.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.01 179.114 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -156.32 148.76 23.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.409 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -147.6 147.48 30.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.172 0.51 . . . . 0.0 111.334 -178.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 130' ' ' LEU . 67.8 mt -93.75 111.14 22.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.138 175.371 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -118.97 -173.46 2.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.58 -174.433 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 63.33 20.54 12.32 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.004 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.1 p -156.39 160.53 39.73 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.196 -178.396 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -100.86 -7.15 23.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.991 0.901 . . . . 0.0 108.897 178.176 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 8.6 m -79.46 111.7 15.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.112 175.623 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -75.22 -14.43 60.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 -170.33 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 62.2 m -119.19 17.02 13.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.88 0.371 . . . . 0.0 110.72 178.434 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 42' ' ' SER . 33.8 tt0 -159.24 114.31 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.692 -178.243 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.36 24.24 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.967 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.451 HE21 ' CB ' ' A' ' 127' ' ' SER . 54.2 mt-30 -92.0 136.25 33.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 110.328 -179.101 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.7 tp -87.25 114.92 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.171 0.51 . . . . 0.0 111.75 -172.652 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 55.8 mt-10 -110.18 128.19 55.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.944 169.786 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.76 152.55 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.791 -177.12 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 88.6 t80 -99.03 117.37 33.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -107.96 179.33 4.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 171.004 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -57.76 -31.6 66.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.17 0.441 . . . . 0.0 111.804 -174.573 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.96 -20.89 34.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.534 -176.049 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.35 -151.11 23.19 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.524 -177.407 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.464 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.7 m95 -96.45 143.28 27.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 111.108 -175.709 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -145.91 143.86 29.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 75.1 mtp -83.19 140.11 32.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.054 178.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -103.42 135.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.958 -178.439 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -87.58 142.61 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.456 174.174 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.9 p -72.95 -2.54 21.36 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.867 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 -0.14 41.84 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.541 178.26 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -69.53 161.26 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.925 -176.083 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.97 29.36 18.97 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.689 175.598 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.32 36.68 79.11 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.964 175.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.516 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 60.7 mtt180 -87.0 102.74 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.873 0.368 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -88.15 2.02 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -114.34 174.92 5.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.423 -176.871 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -70.49 -49.97 42.87 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.759 177.052 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.516 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 3.8 t90 -92.31 145.64 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 174.103 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.06 57.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -170.52 100.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.13 171.411 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 62.0 Cg_endo -94.09 -2.32 2.93 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.174 2.583 . . . . 0.0 111.592 170.571 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 0.9 OUTLIER -63.51 -25.92 68.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.875 -167.985 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.21 -12.94 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -174.973 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.22 34.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.04 0.448 . . . . 0.0 111.243 -177.976 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -52.4 -56.19 16.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.212 -177.476 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.804 ' HD2' ' HA ' ' A' ' 29' ' ' TYR . 96.8 mttt -72.22 -10.71 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.051 -171.883 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 84.8 t -74.5 -56.31 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.017 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.8 -36.73 85.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.753 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 6.0 tp60 -63.19 -44.51 95.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.981 179.116 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.68 -5.45 53.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.762 -179.38 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 95.9 mt -97.48 2.09 49.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.727 0.298 . . . . 0.0 110.287 171.171 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.8 m120 64.09 39.57 7.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.145 -179.516 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 76.0 m -118.06 -178.98 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.939 177.357 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.77 178.99 52.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.597 175.36 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 133' ' ' LEU . 3.1 p-10 -61.85 149.07 86.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 0.0 111.822 -176.0 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.573 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 18.7 Cg_endo -58.55 121.85 10.66 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.441 2.761 . . . . 0.0 113.092 -175.83 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -41.96 6.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.886 -174.347 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.476 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 9.0 m -140.89 158.88 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.727 -176.622 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.521 ' HG ' ' H ' ' A' ' 93' ' ' GLY . 21.3 tp -153.27 174.13 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.521 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 121.86 -150.16 17.07 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.696 174.344 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -85.16 103.45 0.81 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.862 2.375 . . . . 0.0 112.048 179.27 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.063 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.4 t80 -83.68 -49.04 9.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.559 -174.015 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 73.8 mt -139.34 153.67 47.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 111.21 -176.69 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -98.06 66.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.044 178.73 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.3 m -57.69 -36.83 72.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.664 178.754 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 55.5 54.14 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.129 0.49 . . . . 0.0 110.619 173.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.1 m -144.9 87.32 7.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.525 -177.622 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HA ' ' OG ' ' A' ' 104' ' ' SER . 4.2 Cg_exo -79.88 57.83 6.68 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 123.116 2.544 . . . . 0.0 112.1 -179.16 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -116.46 -26.95 6.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.797 -178.834 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 m -139.58 21.99 2.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.429 -178.138 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 101' ' ' PRO . 10.8 p -101.77 143.58 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.143 -176.584 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.5 pt -124.07 156.06 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.055 0.455 . . . . 0.0 110.64 178.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tt -126.2 133.08 69.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.691 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -106.64 150.36 26.29 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.807 0.337 . . . . 0.0 111.438 -174.394 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -124.43 164.4 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.782 178.061 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.55 -125.8 8.49 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.917 175.252 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.9 134.22 41.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.659 0.266 . . . . 0.0 110.975 -175.185 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.19 113.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.896 179.721 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 114.63 -15.17 19.8 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.148 -179.253 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -97.52 130.58 44.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.067 0.461 . . . . 0.0 110.402 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.28 23.5 12.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.228 177.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.484 ' HG ' ' N ' ' A' ' 26' ' ' LEU . 19.2 m -83.58 -14.65 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.714 -177.779 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 116' ' ' ASN . 6.9 m120 -132.49 79.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 110.402 178.697 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.9 m -124.27 158.64 32.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.041 179.654 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.2 t -134.67 146.34 49.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -63.19 116.65 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.973 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 t -78.59 111.65 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -173.977 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -105.36 49.1 0.82 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.0 109.446 179.145 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -134.16 134.1 41.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.082 -178.547 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.31 -17.4 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 178.518 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 51.4 mtm -82.26 50.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.991 177.567 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 118.71 27.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.363 -177.459 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -100.18 129.94 46.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.649 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.451 ' CB ' HE21 ' A' ' 47' ' ' GLN . 15.4 m -72.69 135.13 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.594 -174.331 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -73.28 126.49 30.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.683 -179.146 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 1.063 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.42 146.53 18.85 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.099 177.153 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.49 HD13 HD13 ' A' ' 92' ' ' LEU . 61.2 tp -127.3 131.11 50.54 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 -178.34 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 38.4 m -113.55 108.91 17.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.753 174.377 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 43.2 m -86.67 157.54 19.65 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 176.181 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 2.9 tt -60.78 93.99 0.03 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 110.836 -176.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.602 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 120.765 0.316 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -136.9 130.42 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -140.06 154.36 47.05 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.614 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -70.73 1.78 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.704 0.288 . . . . 0.0 111.698 -178.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.57 -18.37 19.81 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 62.2 m-20 -66.98 140.89 96.32 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 21.2 Cg_exo -65.93 -22.25 56.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 111.811 176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -82.67 -17.09 45.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.633 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.2 t80 -72.77 128.9 36.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.382 0.61 . . . . 0.0 110.457 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -114.91 133.65 55.81 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.139 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.549 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -150.68 157.77 43.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.386 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -147.35 152.43 38.19 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.827 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.739 ' H ' HD21 ' A' ' 84' ' ' LEU . 83.9 mt -90.94 126.73 36.15 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 169.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -57.08 152.28 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.545 0.528 . . . . 0.0 111.425 -173.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -43.75 -59.24 2.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.772 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t 48.85 -93.49 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.949 0.78 . . . . 0.0 112.729 172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -138.47 -40.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.014 0.435 . . . . 0.0 110.075 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 48.2 t -136.08 142.27 44.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -4.73 41.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 111.146 -176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 79.9 m -112.87 17.6 18.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 51.4 tt0 -158.94 94.6 1.23 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.301 0.572 . . . . 0.0 110.432 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.63 -165.6 24.28 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.549 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -79.01 144.49 34.63 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.6 tp -78.17 113.17 15.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.182 0.515 . . . . 0.0 110.53 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.86 120.58 42.87 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.43 154.95 16.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.108 0.48 . . . . 0.0 111.761 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -93.49 117.1 29.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' ILE . 75.8 mt -105.47 -177.66 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 173.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.65 -45.33 81.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.291 0.567 . . . . 0.0 110.125 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 3.8 m-20 -63.93 -47.16 81.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.756 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.18 -158.27 28.27 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.039 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.8 m95 -73.84 128.79 36.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.132 0.491 . . . . 0.0 111.361 -175.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 71.7 m80 -139.77 142.22 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.231 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 104' ' ' SER . 72.7 mtp -80.17 150.68 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.01 132.95 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.889 0.376 . . . . 0.0 110.354 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.8 t -90.85 136.62 32.95 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 p -79.95 41.85 0.53 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.636 0.731 . . . . 0.0 111.621 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -130.92 25.86 4.96 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.0 t -99.71 157.02 16.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.885 -169.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 59.51 23.23 11.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.978 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.41 26.2 74.51 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.599 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -102.59 146.38 28.25 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -90.86 159.01 16.48 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 94' ' ' PRO . 47.2 m -77.97 55.0 1.37 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.315 0.579 . . . . 0.0 111.882 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.21 147.44 43.78 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -64.58 115.6 5.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.967 0.413 . . . . 0.0 111.645 -172.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.504 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 11.3 p90 -83.31 171.14 13.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.462 176.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -85.31 -9.48 57.6 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -165.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.639 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.8 t70 -122.66 106.45 34.76 Favored Pre-proline 0 C--N 1.327 -0.381 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.714 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -96.51 -8.98 0.95 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.763 2.308 . . . . 0.0 112.659 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -69.99 -20.75 63.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.992 -171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.639 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 77.9 mm-40 -63.19 -13.16 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.751 0.31 . . . . 0.0 111.134 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.72 13.88 27.5 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.2 m -58.54 -41.57 85.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.998 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -62.47 -31.54 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.58 -47.11 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 78.8 m -57.86 -37.67 74.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 109.948 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -62.55 -37.73 87.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.169 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 83' ' ' ARG . 11.8 mmm180 -64.92 -26.73 68.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.739 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.2 mp -100.82 7.71 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.29 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.1 t30 58.98 44.44 16.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 59.7 m -109.92 -176.8 3.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.428 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.23 -158.09 33.89 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.639 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -64.58 149.96 94.59 Favored Pre-proline 0 N--CA 1.467 0.406 0 C-N-CA 122.716 0.406 . . . . 0.0 110.811 -177.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.3 Cg_exo -76.43 118.4 4.89 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.936 2.424 . . . . 0.0 112.426 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HD23 ' A' ' 133' ' ' LEU . 85.9 mt -79.78 -40.36 28.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.01 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -153.82 152.68 30.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.0 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.639 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.7 tt -147.22 114.1 6.12 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.98 -159.77 27.41 Favored Glycine 0 C--O 1.227 -0.333 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.145 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HG3' ' O ' ' A' ' 68' ' ' SER . 47.1 Cg_endo -69.67 112.89 3.19 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.516 2.144 . . . . 0.0 112.002 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.608 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 50.2 t80 -113.1 92.59 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.016 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt 69.13 -178.23 0.22 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.769 0.668 . . . . 0.0 111.105 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 37.7 ttmt -130.31 92.08 3.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.221 -177.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -79.65 -48.0 14.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.96 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.44 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 0.7 OUTLIER 63.52 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.574 0.702 . . . . 0.0 112.714 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.6 m -150.15 82.13 6.55 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.182 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.34 68.71 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.95 3.1 . . . . 0.0 113.113 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.0 tm0? 178.63 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -81.34 -35.55 30.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.766 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.5 p -82.42 132.97 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.091 0.472 . . . . 0.0 110.677 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.762 HD13 HD11 ' A' ' 52' ' ' LEU . 31.8 pt -119.94 163.19 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.647 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.5 mt -131.2 123.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.354 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.62 146.74 26.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.09 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -121.19 138.71 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.08 -119.54 2.4 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.666 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.74 132.86 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.622 0.248 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 tp -51.15 114.13 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.26 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.11 -20.11 10.72 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.188 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.9 t -89.01 128.5 35.71 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.067 0.46 . . . . 0.0 110.743 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -113.95 32.05 6.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.287 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.7 m -74.18 84.32 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.004 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 65.36 79.23 0.26 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.155 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 58.9 m -87.69 164.36 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.427 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 45.2 m -104.89 159.57 15.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.753 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -74.21 148.64 41.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 p -75.21 72.31 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.402 0.62 . . . . 0.0 111.495 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -87.83 60.45 5.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -137.97 163.68 30.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.202 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -97.45 20.24 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.414 -176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.6 ptp -155.07 68.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.271 0.558 . . . . 0.0 111.285 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 52.8 t -100.95 132.42 46.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.995 0.426 . . . . 0.0 109.892 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -121.33 151.52 40.01 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -78.98 136.53 37.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.664 0.268 . . . . 0.0 110.769 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.14 127.44 36.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.17 145.69 16.68 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.639 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.639 HD13 ' HG ' ' A' ' 92' ' ' LEU . 61.6 tp -125.69 126.94 45.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 39.0 m -109.92 108.72 19.1 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.263 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.4 m -107.0 147.6 29.71 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.489 HD23 HD11 ' A' ' 90' ' ' LEU . 54.8 mt -61.71 155.22 23.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.48 0.181 . . . . 0.0 110.667 176.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 1.7 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 115' ' ' SER . 6.5 mp -125.6 74.75 1.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.9 m -97.0 154.23 17.43 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -74.08 24.27 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.115 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 79' ' ' LYS . 27.8 m-85 -132.57 17.21 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.341 171.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -99.73 143.24 26.08 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.25 -16.87 35.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.985 2.457 . . . . 0.0 112.57 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -90.57 -8.81 49.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.1 118.36 21.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.8 mm100 -104.44 137.84 41.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.183 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.36 159.45 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.82 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -153.02 155.66 37.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.16 126.33 51.96 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 77.2 p -62.7 153.69 31.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.798 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -80.24 50.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -74.35 -45.32 47.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.281 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 11.8 m120 -122.76 -62.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.963 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 t -152.99 -175.31 5.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.561 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.76 -33.42 73.87 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.372 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 82.4 m -97.56 18.85 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' HG3' ' HB2' ' A' ' 41' ' ' ASN . 3.3 pt20 -161.42 114.53 1.9 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.427 0.632 . . . . 0.0 111.967 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.52 -161.3 31.07 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.418 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 6.0 mp0 -74.98 142.48 43.89 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 117.067 0.434 . . . . 0.0 109.927 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -85.66 106.05 16.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.159 0.504 . . . . 0.0 109.772 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -109.34 123.36 49.18 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.27 155.21 21.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.016 0.436 . . . . 0.0 111.521 -172.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.4 t80 -92.51 107.39 19.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.133 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.75 HD11 HD13 ' A' ' 105' ' ' ILE . 70.3 mt -84.84 175.98 8.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.777 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.64 -38.43 69.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 109.691 177.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.34 -16.11 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.592 -176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.15 -179.6 21.34 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 119.686 -1.245 . . . . 0.0 113.819 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -71.23 130.03 40.39 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.955 0.502 . . . . 0.0 111.629 -176.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -146.18 157.72 43.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.3 mtp -91.18 137.59 32.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.28 140.63 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 0.0 111.064 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.7 t -99.24 140.99 32.59 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.721 ' HA ' HD12 ' A' ' 128' ' ' LEU . 79.6 p -67.46 -24.82 65.66 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.76 24.87 2.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.172 0.511 . . . . 0.0 110.846 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.3 t -79.83 161.47 25.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.948 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 56.96 30.42 18.06 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 122.865 0.466 . . . . 0.0 111.598 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.62 16.16 69.48 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.056 -0.592 . . . . 0.0 113.094 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -74.4 159.42 32.36 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 p -72.21 154.04 41.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.098 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 51.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.131 0.491 . . . . 0.0 111.09 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.621 ' HG2' ' H ' ' A' ' 70' ' ' GLN . 42.2 tttp -149.08 -169.28 3.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 10.3 tt0 -94.78 130.25 41.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -177.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -90.67 161.11 15.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.915 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -101.31 41.21 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.73 0.3 . . . . 0.0 111.688 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -155.62 80.23 4.15 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 0.0 110.195 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 93.6 Cg_endo -81.04 -10.18 12.7 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.556 2.17 . . . . 0.0 112.014 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 7.5 m -64.33 -11.86 36.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.042 -175.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 34.4 mm-40 -59.02 -25.48 63.72 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.918 0.389 . . . . 0.0 111.061 175.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.96 25.8 8.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.586 -176.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.3 t -54.37 -48.45 71.47 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.35 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 23.1 tptm -61.68 -38.19 86.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.231 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 97.7 t -63.51 -53.92 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 61.1 m -60.27 -45.9 91.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -62.11 -42.66 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.769 -174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.532 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.0 mmp_? -74.16 -18.15 60.82 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.936 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 80' ' ' VAL . 9.7 mp -88.27 11.72 15.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.412 174.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 65.31 37.09 6.55 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.955 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.2 m -116.77 163.66 15.81 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.119 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -151.54 25.87 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.235 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.9 m-20 -56.79 148.22 48.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.887 0.375 . . . . 0.0 111.645 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 5.7 Cg_exo -76.24 124.47 7.85 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.946 2.431 . . . . 0.0 111.336 176.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 133' ' ' LEU . 95.8 mt -88.64 -52.09 5.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 -176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 6.4 p -140.46 146.99 38.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.5 tt -149.36 113.54 5.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.38 -144.85 8.92 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.841 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.65 103.84 1.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.243 1.962 . . . . 0.0 111.732 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.998 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 66.3 t80 -84.62 -49.82 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.383 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 63.9 tp -154.17 151.15 28.89 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -96.91 82.04 3.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.6 m -73.65 -32.16 63.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.453 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 70.67 -25.91 0.16 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.6 m -50.72 107.19 0.76 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 111.961 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 100' ' ' THR . 17.3 Cg_exo -68.23 -33.26 24.87 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.407 2.738 . . . . 0.0 112.533 -177.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 8.7 tp-100 -64.82 -32.66 74.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.053 -178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.7 m -88.27 -32.75 18.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.692 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.9 p -92.06 156.56 17.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.408 0.623 . . . . 0.0 112.147 -171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.75 HD13 HD11 ' A' ' 52' ' ' LEU . 24.8 pt -135.35 151.95 31.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.209 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.0 mt -119.97 116.36 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 158.77 15.53 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -175.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -131.56 155.33 47.67 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.83 -125.18 6.55 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.225 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -101.88 141.19 35.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.673 0.273 . . . . 0.0 110.879 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.44 101.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 129.66 -12.58 5.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.397 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.5 t -100.23 119.71 38.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -110.8 31.13 6.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.522 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 26' ' ' LEU . 45.6 m -62.01 -40.09 94.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.944 -172.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -154.93 95.92 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 110.39 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 27.4 m -98.71 151.46 20.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.211 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.4 m -93.23 135.5 34.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.817 0.342 . . . . 0.0 111.011 -177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.496 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 10.0 t60 -57.53 125.6 23.63 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 174.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.5 t -69.94 92.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.107 0.479 . . . . 0.0 110.94 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -89.88 53.23 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -157.34 150.89 24.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.36 22.39 10.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.092 0.472 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 81.0 mtp -109.28 17.25 21.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.238 0.542 . . . . 0.0 109.867 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.5 t -84.2 134.8 34.54 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.387 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -107.69 119.36 39.22 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -66.16 130.39 43.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.507 . . . . 0.0 111.049 -174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.1 tt -80.32 130.73 35.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.262 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.998 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -123.99 151.16 17.07 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.954 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 60.8 tp -124.38 128.24 48.78 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 74.7 m -116.1 110.07 18.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.6 m -107.83 154.22 21.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 90' ' ' LEU . 30.1 mt -57.79 127.87 34.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.79 0.328 . . . . 0.0 110.524 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 32.4 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.423 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.728 0.299 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -131.28 86.26 2.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.035 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 29' ' ' TYR . 9.6 t -118.83 145.94 45.25 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 17.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.042 0.449 . . . . 0.0 111.887 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.611 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -121.31 6.17 10.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 177.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -95.76 142.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.178 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.93 -12.12 33.59 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.986 2.457 . . . . 0.0 112.766 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.89 1.73 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.339 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -96.1 117.51 30.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 2.2 mp0 -95.61 131.97 41.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.494 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.9 154.27 45.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.412 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' NH1' ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -148.96 156.47 42.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.064 -179.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.7 mt -99.82 132.83 44.92 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.508 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 41.1 p -52.04 144.05 12.78 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.678 0.611 . . . . 0.0 111.531 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.8 mmm-85 -75.25 54.18 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.424 0.631 . . . . 0.0 109.33 175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -90.6 -66.92 0.88 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.065 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.39 -59.37 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.15 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 1.031 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 37.0 t -123.17 146.07 48.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.983 0.421 . . . . 0.0 109.95 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 43' ' ' LYS . 19.9 ptmt -61.26 -22.8 65.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.756 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 69.3 m -118.64 25.58 10.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.425 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 1.031 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 28.4 tt0 -159.51 109.78 1.93 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.128 0.49 . . . . 0.0 111.253 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.54 -169.81 38.37 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.06 138.6 47.96 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 tp -80.0 116.67 20.26 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.977 0.418 . . . . 0.0 110.888 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.13 127.11 52.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.613 173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.67 150.84 15.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.113 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -90.01 106.22 18.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.053 0.454 . . . . 0.0 110.603 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.25 172.64 8.08 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -54.79 -32.17 59.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.904 0.383 . . . . 0.0 111.351 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.82 34.57 3.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.79 175.79 20.47 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.123 -1.036 . . . . 0.0 114.238 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 93.1 m95 -75.65 136.37 40.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.664 -178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -143.73 142.24 30.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.184 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.8 mtp -71.72 138.77 48.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.145 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.8 t -93.73 131.27 41.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.679 0.276 . . . . 0.0 110.327 177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 98.3 m -81.24 141.25 34.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.102 173.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 128' ' ' LEU . 3.1 p -77.0 -3.49 39.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -86.88 7.15 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.3 m -69.66 150.78 46.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.278 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 60.61 22.41 12.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.497 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.4 47.69 61.82 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.574 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 66' ' ' ARG . 5.4 mmp_? -103.9 131.14 51.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 0.0 110.819 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.9 m -83.0 175.38 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.686 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.64 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 5.0 p -80.24 55.67 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.18 0.514 . . . . 0.0 111.716 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -133.23 148.59 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.063 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.42 101.03 9.6 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.487 ' HE1' HD23 ' A' ' 92' ' ' LEU . 39.8 p90 -75.58 146.95 40.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.973 0.416 . . . . 0.0 110.774 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.08 17.61 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -168.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -128.83 80.5 72.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.563 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.4 Cg_endo -85.82 -5.77 8.8 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.112 2.542 . . . . 0.0 110.499 169.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -18.27 65.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.459 -174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -74.27 -5.42 41.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.128 -0.357 . . . . 0.0 110.808 175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.93 7.01 19.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.48 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m -56.36 -38.29 71.2 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.759 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.611 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 62.5 tttp -65.14 -35.71 81.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.898 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.41 -50.19 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -59.87 -39.34 84.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.398 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -63.06 -46.1 89.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.366 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 13.6 mmm180 -76.05 -15.16 60.17 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.451 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.77 6.29 42.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.479 . . . . 0.0 110.024 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 61.5 38.51 15.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.995 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 32.8 m -111.28 174.25 5.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.82 -128.03 2.38 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.067 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.03 151.91 73.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 122.646 0.378 . . . . 0.0 111.299 -177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 58.1 Cg_endo -80.1 102.31 1.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.666 2.244 . . . . 0.0 111.129 174.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -35.59 62.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.229 -174.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.4 m -152.76 151.54 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.903 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 51.3 tp -155.28 131.79 10.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.855 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.468 ' HA2' ' CH2' ' A' ' 71' ' ' TRP . . . 157.12 -156.05 26.9 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.473 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 17.3 Cg_exo -67.38 124.62 12.29 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.624 2.216 . . . . 0.0 111.981 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' A' ' 127' ' ' SER . 50.3 t80 -138.11 120.45 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.172 -177.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.1 mt 69.64 120.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.911 0.862 . . . . 0.0 112.143 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -87.76 57.87 4.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.823 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.69 -34.52 74.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 -176.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 70.14 -12.63 0.48 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.75 0.82 . . . . 0.0 113.072 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -51.75 101.79 0.28 Allowed Pre-proline 0 N--CA 1.467 0.399 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -93.51 21.94 0.59 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.224 2.616 . . . . 0.0 112.625 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -104.54 -10.43 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.39 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -126.26 -17.59 5.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.728 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.506 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 79.6 p -92.98 146.28 23.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.371 0.605 . . . . 0.0 112.218 -172.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 31.1 pt -123.27 144.53 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.463 172.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.1 tt -113.11 124.94 70.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -110.2 151.81 26.85 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.043 0.449 . . . . 0.0 110.858 -173.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -123.08 168.19 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.925 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.55 -125.54 6.54 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.85 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -125.56 149.23 48.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.675 0.274 . . . . 0.0 110.822 -176.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.58 112.03 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.787 -173.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.72 -12.36 27.55 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.684 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.9 t -108.63 122.91 48.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -105.51 43.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.217 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.1 m -67.8 -53.58 25.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.952 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -116.29 80.85 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.965 0.412 . . . . 0.0 111.032 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 30.7 m -103.66 127.17 51.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.034 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -111.4 147.6 34.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -68.83 123.25 20.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 m -66.55 121.55 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.758 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -117.16 36.37 4.26 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -126.34 139.79 53.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.41 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -87.88 22.17 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.688 0.28 . . . . 0.0 111.448 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.1 mtp -132.39 29.12 4.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.598 0.237 . . . . 0.0 111.209 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.69 110.5 17.8 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.01 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -84.58 132.68 34.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.776 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 11.1 m -69.16 151.58 46.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.908 0.385 . . . . 0.0 110.908 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.608 HD21 HD11 ' A' ' 92' ' ' LEU . 8.7 tt -96.31 120.56 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -109.18 139.24 15.19 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.334 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 62.6 tp -123.3 121.56 36.14 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 88.1 m -103.81 104.92 14.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.249 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 16.2 m -99.17 138.25 36.53 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.97 116.94 10.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 3.3 mp0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.262 -178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.685 0.279 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.66 141.63 28.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 173.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -127.52 148.22 50.33 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.04 7.61 3.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.448 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 54.7 m-85 -96.48 -10.4 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.308 173.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.78 136.85 96.94 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 0.0 110.495 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.86 -18.14 46.97 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.14 2.56 . . . . 0.0 113.185 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -113.54 20.9 15.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.895 0.378 . . . . 0.0 111.279 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -79.26 96.81 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 54.2 mt-30 -76.26 120.73 21.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.755 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.95 154.94 47.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.929 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -145.54 153.5 41.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.999 0.428 . . . . 0.0 110.632 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' H ' HD21 ' A' ' 84' ' ' LEU . 94.7 mt -108.03 134.01 51.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 172.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 p -65.07 164.4 13.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.424 0.63 . . . . 0.0 112.626 -173.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -77.59 47.47 0.6 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.345 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -77.51 -64.75 1.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.156 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -117.29 -64.38 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.557 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 41.8 m -147.33 174.81 11.3 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -77.08 7.03 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.999 0.428 . . . . 0.0 110.36 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 65.9 m -108.5 -7.41 15.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.886 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.485 HE21 ' HB3' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -155.78 119.27 4.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 111.429 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.66 -159.87 29.81 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.343 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' HG3' HD22 ' A' ' 96' ' ' LEU . 93.9 mt-30 -74.61 131.4 40.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.988 0.394 . . . . 0.0 110.025 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -82.81 105.89 14.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.9 0.381 . . . . 0.0 111.129 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.89 128.39 54.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.93 172.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.23 146.28 14.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.314 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.582 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 46.5 t80 -95.89 91.12 5.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.065 0.46 . . . . 0.0 110.247 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.6 mt -90.96 -172.79 3.46 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -66.89 -26.99 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.104 0.478 . . . . 0.0 110.025 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.05 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.686 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.24 -170.14 19.32 Favored Glycine 0 C--O 1.237 0.283 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.149 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.15 132.38 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -143.37 137.9 29.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.222 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.3 mtp -76.03 124.86 28.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.17 126.92 39.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.26 134.4 34.13 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.488 ' HA ' HD13 ' A' ' 128' ' ' LEU . 18.4 m -48.74 -54.94 12.95 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -170.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 62' ' ' GLN . 5.4 pm0 -81.07 56.7 2.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.736 0.779 . . . . 0.0 111.674 -174.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.7 m -102.2 159.31 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.123 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 60.84 -84.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.531 0.732 . . . . 0.0 111.689 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.57 31.25 0.93 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.314 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 32.7 mmt-85 -98.93 134.85 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.125 0.488 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -112.88 -177.21 3.08 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.381 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 p -82.81 58.99 4.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.12 151.34 10.07 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 172.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -71.71 126.11 28.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.499 ' HD1' ' H ' ' A' ' 73' ' ' ASP . 26.3 t-105 -85.28 158.45 20.3 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 35.9 mt-10 -60.15 -37.75 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' H ' ' HD1' ' A' ' 71' ' ' TRP . 15.3 t70 -113.88 97.86 45.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 111.674 -175.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 72' ' ' GLU . 55.3 Cg_endo -100.94 9.05 0.57 Allowed 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.759 2.973 . . . . 0.0 112.14 172.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 5.6 m -76.75 -3.84 40.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.898 -173.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -69.19 -16.2 63.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.019 0.438 . . . . 0.0 110.844 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.22 15.88 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -58.55 -40.68 83.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.567 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 22.1 tptm -61.66 -32.46 72.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.738 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.94 -46.33 85.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.834 0.35 . . . . 0.0 110.131 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.2 m -57.54 -38.3 74.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.231 176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -68.23 -36.54 79.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.9 mmm180 -61.47 -30.09 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.707 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD21 ' H ' ' A' ' 37' ' ' LEU . 8.0 mp -102.04 9.49 40.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.826 0.346 . . . . 0.0 111.32 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 57.4 45.36 20.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.018 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -112.48 -178.43 3.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.018 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.29 -164.86 36.94 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.608 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -63.24 149.82 90.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 111.211 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 60.2 Cg_endo -78.7 120.61 4.79 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.699 2.266 . . . . 0.0 112.437 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.7 mt -82.28 -52.66 6.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 p -139.94 154.81 47.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 130' ' ' LEU . 51.8 tp -144.32 94.58 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.12 -158.66 9.48 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.791 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.67 79.48 2.81 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 123.292 2.661 . . . . 0.0 111.8 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.601 ' HB3' HD12 ' A' ' 96' ' ' LEU . 21.5 t80 -77.37 -49.8 14.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.841 -176.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.8 mp -106.44 144.27 33.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.26 0.552 . . . . 0.0 110.949 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.529 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 66.5 mttm -118.58 67.11 0.77 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.893 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -91.77 -28.88 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.995 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 91.4 m-85 61.58 20.09 10.96 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 173.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.1 m -72.39 108.6 4.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.526 0.203 . . . . 0.0 111.21 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 95.5 Cg_endo -92.29 58.53 0.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.207 2.605 . . . . 0.0 111.997 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -144.94 -53.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.111 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 p -90.97 -0.53 57.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.3 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.7 p -101.08 151.34 21.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.525 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.0 pt -133.35 152.28 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.033 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.19 125.24 73.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -110.09 146.51 35.28 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.997 -174.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -109.32 162.32 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.984 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.47 -106.3 0.98 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.145 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -144.48 153.33 41.76 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.3 tp -56.39 108.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.69 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.66 -2.29 32.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.27 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.7 t -104.78 95.83 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.225 0.536 . . . . 0.0 110.404 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -90.27 62.23 5.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.3 t -99.01 -64.31 1.05 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.711 -176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -108.49 88.67 2.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.059 0.457 . . . . 0.0 110.177 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.0 m -108.07 138.18 44.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.759 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 p -117.84 158.17 25.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.124 0.488 . . . . 0.0 111.025 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -66.17 127.19 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.036 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 t -70.14 110.85 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.16 0.505 . . . . 0.0 110.608 -176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -94.27 4.06 54.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.502 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -106.77 133.93 50.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.05 0.452 . . . . 0.0 110.376 -176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -92.0 12.2 22.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.694 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -102.06 18.8 19.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 48.8 t -66.01 115.06 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.052 -176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -87.4 135.22 33.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.126 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.627 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 12.8 m -79.28 118.24 21.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 61' ' ' SER . 33.0 tp -64.32 120.56 12.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.516 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -114.77 124.25 6.31 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.51 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.7 HD13 HD13 ' A' ' 92' ' ' LEU . 55.9 tp -103.29 117.43 34.49 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 14.2 m -98.41 86.84 3.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.5 m -85.49 147.72 26.32 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -58.98 128.46 37.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.951 0.405 . . . . 0.0 110.164 175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.7 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' HE3' ' A' ' 53' ' ' LYS . 74.6 mt -87.55 90.79 8.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.314 0.578 . . . . 0.0 111.305 -178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.7 t -153.99 150.51 28.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -80.36 29.69 0.29 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.442 0.639 . . . . 0.0 111.28 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 27' ' ' SER . 42.7 m-85 -122.93 3.37 9.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.918 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.2 m-20 -108.23 147.93 36.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.354 -175.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 8.0 Cg_exo -73.2 -8.94 22.77 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 123.491 2.794 . . . . 0.0 113.165 -175.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -108.21 19.7 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.678 0.275 . . . . 0.0 110.978 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -96.1 118.06 31.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -109.18 134.64 51.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.61 162.83 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.659 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -152.47 166.84 30.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.75 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 43' ' ' LYS . 97.6 mt -107.32 147.73 29.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 172.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.4 p -76.92 163.18 26.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.102 0.477 . . . . 0.0 110.773 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 ptm180 -84.51 78.25 9.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.489 0.661 . . . . 0.0 111.568 -170.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -83.15 -53.25 5.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.139 175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -157.62 -59.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.122 0.487 . . . . 0.0 110.221 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 t -124.88 150.08 46.86 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.99 -5.68 36.67 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -170.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 92.5 m -90.99 -4.22 56.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.362 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -145.68 115.34 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.282 0.563 . . . . 0.0 111.186 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.32 -163.06 29.13 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.286 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 57.0 mt-30 -91.56 139.04 31.09 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.85 122.48 24.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.22 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -123.53 126.45 46.72 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -120.43 155.37 23.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.147 0.499 . . . . 0.0 111.856 -172.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -85.51 108.85 18.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.757 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.961 HD11 HD13 ' A' ' 105' ' ' ILE . 94.8 mt -87.14 -167.81 2.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.256 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.6 tppp? -67.78 -21.02 65.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 110.591 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -105.02 -50.83 3.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.462 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.75 -157.67 18.38 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.875 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.64 125.24 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.175 0.512 . . . . 0.0 111.725 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -138.85 145.57 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.68 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.07 139.54 39.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.265 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.49 130.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.009 0.433 . . . . 0.0 110.279 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.1 t -89.94 136.8 32.82 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -72.28 -2.48 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -93.73 39.3 1.06 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.221 1.01 . . . . 0.0 109.144 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.2 m -107.28 150.13 27.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.343 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.5 26.65 16.34 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.669 0.606 . . . . 0.0 111.719 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.17 66.11 2.32 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.361 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.504 HH21 HD22 ' A' ' 111' ' ' LEU . 45.1 mmt-85 -130.19 129.7 43.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 110.902 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.6 p -70.71 162.2 29.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.672 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -77.78 49.49 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.929 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -147.16 146.15 29.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.431 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.77 120.45 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.244 0.34 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.455 ' CZ3' ' HB3' ' A' ' 66' ' ' ARG . 12.7 p90 -92.48 -176.24 4.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.194 0.521 . . . . 0.0 111.591 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -82.92 -29.53 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -160.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -125.78 95.33 40.27 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.664 -174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -94.38 -4.32 2.53 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.974 2.45 . . . . 0.0 112.718 176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 19.1 m -72.56 -4.51 31.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -62.84 -19.16 63.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.233 0.54 . . . . 0.0 110.859 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.15 12.22 36.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.003 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 m -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.711 0.291 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 7.3 mtmp? -63.45 -35.03 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.34 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.22 -49.38 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.5 m -55.62 -42.87 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.409 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -60.78 -39.5 89.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.232 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 16.8 mmm180 -68.16 -19.49 64.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.273 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -99.52 9.69 42.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.624 0.25 . . . . 0.0 110.935 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 m120 63.22 41.06 8.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.349 0.595 . . . . 0.0 110.981 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.7 m -118.7 167.97 11.16 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.529 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.85 -152.04 27.92 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.939 -176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 5.5 m-20 -56.13 146.32 51.33 Favored Pre-proline 0 N--CA 1.465 0.296 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.9 Cg_exo -75.79 114.45 3.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.208 2.606 . . . . 0.0 111.7 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD11 HD12 ' A' ' 133' ' ' LEU . 89.9 mt -82.11 -37.66 25.98 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.669 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.3 m -151.14 147.7 27.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 130' ' ' LEU . 8.3 tt -151.32 110.85 3.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 177.48 -148.94 9.04 Favored Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.77 119.18 5.58 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.124 1.883 . . . . 0.0 111.907 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.614 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 41.2 t80 -145.09 119.5 9.63 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.77 -177.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tt 57.91 90.98 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 124.011 0.819 . . . . 0.0 110.911 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.701 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 9.8 mtmp? -78.83 88.47 4.67 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -71.06 -13.81 62.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.008 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.496 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 69.8 t80 59.3 73.65 0.47 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.151 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 p -124.62 64.82 41.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.145 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.66 ' HB2' ' HD2' ' A' ' 121' ' ' ARG . 6.1 Cg_exo -74.25 2.64 5.96 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.942 2.428 . . . . 0.0 111.761 -176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -103.76 12.5 34.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.502 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.2 m -146.73 -22.52 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.2 p -87.07 149.58 24.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.076 0.465 . . . . 0.0 111.623 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.961 HD13 HD11 ' A' ' 52' ' ' LEU . 35.0 pt -130.28 146.31 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.867 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.5 mt -106.06 117.14 51.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -96.33 152.83 18.22 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.983 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -119.42 161.2 20.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.857 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.87 -158.21 14.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.339 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -82.34 144.33 30.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.691 0.281 . . . . 0.0 110.518 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.504 HD22 HH21 ' A' ' 66' ' ' ARG . 61.4 tp -51.26 100.91 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.554 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 132.67 -26.05 3.69 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.359 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -84.6 109.02 17.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.185 0.517 . . . . 0.0 110.982 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -93.64 41.62 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.555 0.693 . . . . 0.0 109.337 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 p -79.85 -48.33 13.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.714 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -123.87 112.12 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.327 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 55.9 m -130.77 142.95 50.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.358 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 t -122.34 136.93 54.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -77.7 119.38 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.04 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.7 m -108.51 116.89 32.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.711 0.291 . . . . 0.0 111.432 -174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.66 ' HD2' ' HB2' ' A' ' 101' ' ' PRO . 9.4 mmm180 -103.1 66.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.171 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -163.41 157.85 20.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -79.6 22.24 0.47 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.094 0.473 . . . . 0.0 111.974 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 67.2 mtt -91.95 -4.27 54.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.541 0.686 . . . . 0.0 109.441 173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.0 t -88.82 136.23 33.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.736 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.701 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 55.5 m80 -118.13 131.46 56.42 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.5 m -64.09 129.51 40.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.676 0.274 . . . . 0.0 110.632 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 47' ' ' GLN . 7.5 tt -83.74 113.15 20.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.614 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -98.45 126.0 8.74 Favored Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.778 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 92' ' ' LEU . 52.3 tp -108.42 118.59 37.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 29.0 m -108.33 96.23 6.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.982 0.42 . . . . 0.0 110.311 179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 34.9 m -92.53 152.32 19.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.55 177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.412 HD12 HD11 ' A' ' 90' ' ' LEU . 10.7 tp -68.8 140.23 55.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.713 176.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD22 ' A' ' 52' ' ' LEU . 96.4 mt -130.24 71.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.137 177.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -113.09 151.19 31.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 10.69 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.948 -175.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -94.45 -18.09 21.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 109.947 173.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.51 131.83 89.73 Favored Pre-proline 0 N--CA 1.452 -0.344 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.43 -19.15 38.08 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.636 2.224 . . . . 0.0 112.514 -175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -96.06 -0.86 49.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.829 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -76.45 106.42 8.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 78.2 mt-30 -86.47 134.65 33.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.596 -176.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.04 146.22 26.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.572 ' NH1' HH22 ' A' ' 39' ' ' ARG . 10.2 ptp180 -141.02 158.45 43.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.553 . . . . 0.0 111.054 -177.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.35 134.15 46.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 172.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 55.7 p -50.59 142.12 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.596 0.56 . . . . 0.0 111.63 -178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HG2' HH11 ' A' ' 39' ' ' ARG . 0.2 OUTLIER -69.63 63.24 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.884 176.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.0 t -86.93 -78.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.054 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -101.88 -52.15 3.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.0 110.295 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.543 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.7 t -151.1 172.0 16.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.646 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -65.07 -23.79 67.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 123.291 0.369 . . . . 0.0 111.483 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 134' ' ' GLU . 73.3 m -93.31 -1.46 55.99 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -172.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.543 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -154.98 130.24 9.65 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.746 176.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.41 -161.09 33.43 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.45 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 23.4 tm0? -82.81 144.52 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.3 tp -88.81 113.08 23.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 111.977 -173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -108.84 127.56 54.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.356 172.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.27 149.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 75.2 t80 -99.09 101.33 12.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.926 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 26' ' ' LEU . 82.1 mt -100.28 -158.8 0.7 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.406 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -69.78 -32.48 70.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 111.244 -175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -83.59 -16.17 46.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.67 -141.46 13.61 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.264 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.4 m95 -82.52 128.69 34.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.165 0.507 . . . . 0.0 111.154 -175.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -136.57 133.41 36.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.43 178.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HE1' ' HB ' ' A' ' 98' ' ' THR . 60.4 mtp -73.8 137.37 43.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.6 t -96.37 138.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.8 m -99.71 151.75 20.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.035 0.445 . . . . 0.0 111.294 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HA ' HD13 ' A' ' 128' ' ' LEU . 6.7 m -73.45 -6.29 45.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.746 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -87.56 22.51 2.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.865 0.841 . . . . 0.0 109.351 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.9 t -102.64 151.64 22.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.763 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 55.4 32.56 19.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.164 0.585 . . . . 0.0 112.056 177.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.78 30.42 72.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.174 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -97.59 164.86 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.966 0.383 . . . . 0.0 109.968 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.5 m -147.34 -163.33 1.74 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.654 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -61.13 -34.37 74.88 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 111.441 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 51.7 tptt -123.41 86.57 2.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.064 0.459 . . . . 0.0 110.971 -178.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 69' ' ' LYS . 28.6 mt-30 -153.62 84.11 1.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.115 172.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.404 ' CZ3' ' HB3' ' A' ' 91' ' ' SER . 78.4 m95 -118.89 69.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.476 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.725 ' HG3' ' H ' ' A' ' 73' ' ' ASP . 7.9 pt-20 -105.64 -77.55 0.59 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.649 -0.42 . . . . 0.0 112.112 -175.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.725 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 13.2 t70 -117.93 98.17 51.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 O-C-N 122.31 -0.244 . . . . 0.0 110.978 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -98.54 -2.75 1.02 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.413 2.742 . . . . 0.0 112.834 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -66.64 -17.7 64.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.254 -171.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -62.87 -24.51 67.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 0.0 110.759 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 19.54 6.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.545 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.508 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 4.2 p -57.49 -35.51 70.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.69 -33.6 73.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.34 -54.26 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.18 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.4 m -62.21 -39.29 92.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.501 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -58.81 -48.73 80.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -71.69 -20.8 61.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.68 0.276 . . . . 0.0 111.437 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.91 4.91 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 176.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.26 48.36 6.25 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.623 0.725 . . . . 0.0 110.773 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 71.1 m -133.52 163.38 29.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.572 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 132' ' ' CYS . . . -73.86 177.12 45.23 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.298 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.78 146.52 75.02 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-O 121.417 0.627 . . . . 0.0 112.67 -172.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HB3' HD21 ' A' ' 130' ' ' LEU . 29.6 Cg_endo -63.87 103.72 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 113.008 -175.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD11 ' HG ' ' A' ' 133' ' ' LEU . 88.6 mt -67.84 -40.99 83.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.908 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HB3' ' CZ3' ' A' ' 71' ' ' TRP . 23.5 m -146.43 150.0 34.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -150.93 115.31 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.66 -154.85 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.667 -0.777 . . . . 0.0 111.619 -177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.67 73.25 3.56 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.497 2.131 . . . . 0.0 112.391 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 42.9 t80 -71.38 -44.94 64.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.786 -177.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.577 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 96.2 mt -132.02 178.38 6.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.67 87.93 1.96 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.281 0.562 . . . . 0.0 109.971 173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.482 ' HB ' ' HE1' ' A' ' 58' ' ' MET . 20.6 m -86.34 111.97 20.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.18 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -74.25 69.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.74 -174.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.4 m -130.62 76.23 77.7 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.034 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -77.39 60.55 7.08 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.365 2.71 . . . . 0.0 112.563 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -152.87 -35.31 0.11 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.645 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.1 m -109.14 24.31 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' MET . 27.0 m -118.56 152.48 35.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.322 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.43 HG23 ' CD2' ' A' ' 57' ' ' HIS . 34.6 pt -129.95 156.84 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.338 0.589 . . . . 0.0 111.806 -177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.9 mt -123.98 125.96 71.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.9 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.47 154.52 31.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.731 0.3 . . . . 0.0 110.215 -176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -143.62 152.08 40.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.63 -113.58 1.37 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -111.18 131.69 54.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.739 0.304 . . . . 0.0 110.218 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 51.7 tp -52.02 110.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.968 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.88 -19.58 7.37 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.405 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.2 t -101.05 122.76 44.12 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.979 0.419 . . . . 0.0 110.346 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.403 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 90.4 m-85 -106.8 24.84 12.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.205 176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.9 m -78.0 -13.93 59.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.577 -173.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -147.43 75.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.238 0.542 . . . . 0.0 110.047 -176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 15.3 m -115.39 154.44 29.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.559 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.5 m -111.17 159.45 17.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.518 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.72 136.57 33.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.941 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -108.49 118.48 36.88 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.618 0.723 . . . . 0.0 111.816 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.09 32.27 6.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.84 171.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -97.05 131.34 43.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.72 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.89 -23.3 65.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.204 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -94.8 29.06 2.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.061 0.458 . . . . 0.0 110.618 -177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.14 89.64 6.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.059 0.457 . . . . 0.0 110.228 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -61.0 129.2 40.23 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 m -80.6 129.82 34.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.007 0.432 . . . . 0.0 111.233 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' SER . 17.9 tp -79.59 132.63 36.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.37 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -129.92 153.02 19.85 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.824 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.2 tt -130.5 135.11 47.62 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.54 ' N ' HD23 ' A' ' 130' ' ' LEU . 25.6 m -112.5 98.86 7.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.844 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.58 ' SG ' HD22 ' A' ' 130' ' ' LEU . 10.2 m -94.1 153.73 17.98 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HG ' HD11 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -70.36 133.38 46.87 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 177.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 2.9 mp0 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.827 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 25' ' ' ARG . 41.7 ttp180 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.54 130.8 55.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.9 m -159.99 146.84 16.18 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.459 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -78.36 12.12 2.09 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.251 -0.579 . . . . 0.0 111.219 -177.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CE2' ' HA3' ' A' ' 112' ' ' GLY . 69.6 m-85 -100.05 -3.67 31.5 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.435 172.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 73.1 m-20 -97.2 127.13 39.51 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.799 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 33.1 Cg_exo -59.72 -22.12 66.17 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.401 2.734 . . . . 0.0 113.845 -178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -89.52 -0.08 57.25 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.475 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -71.94 131.44 42.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.723 0.297 . . . . 0.0 110.365 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -112.17 132.41 54.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.94 163.74 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.339 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -144.15 162.7 35.62 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -118.85 135.89 54.32 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 173.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -56.38 146.26 24.79 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.372 0.42 . . . . 0.0 111.036 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -72.01 78.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -96.1 -152.6 0.38 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.747 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.34 -58.89 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.716 0.294 . . . . 0.0 111.344 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.915 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 17.3 m -89.02 143.05 27.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 134' ' ' GLU . 9.9 ptpp? -70.23 -15.85 62.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.29 -172.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 3.7 t -126.28 43.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 109.48 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.915 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 0.6 OUTLIER -147.93 130.94 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.717 178.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 161.55 -157.12 28.75 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.499 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -73.68 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.1 tp -85.75 109.12 18.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.947 0.404 . . . . 0.0 110.539 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -110.61 121.12 44.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.9 m -112.38 155.05 13.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.945 0.402 . . . . 0.0 111.041 -175.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -84.82 97.55 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.801 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 14.7 tp -100.33 -171.47 2.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.364 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.801 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 13.4 tmtt? -54.96 -45.67 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -89.87 24.46 2.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.67 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.54 -163.17 32.31 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.551 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.6 m95 -61.88 122.65 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.287 -176.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -140.28 149.1 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.71 ' HE3' HG21 ' A' ' 98' ' ' THR . 31.9 mtp -83.54 133.5 34.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.763 -176.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.8 t -83.72 129.91 36.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.797 0.332 . . . . 0.0 110.42 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -95.77 156.26 16.4 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 p -81.67 9.85 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -108.93 44.14 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.898 0.856 . . . . 0.0 108.731 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -113.08 147.63 36.89 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.534 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 58.8 21.63 9.22 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.336 0.655 . . . . 0.0 112.135 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.22 29.28 68.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.191 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -116.52 82.13 1.74 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 p -99.24 44.46 1.02 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.711 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.6 t -103.13 159.22 15.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 67.2 mttm -94.16 -14.81 25.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -172.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -168.02 143.07 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -125.77 157.79 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.73 35.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.553 0.692 . . . . 0.0 109.208 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.6 77.53 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.282 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -84.88 -2.82 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.756 2.304 . . . . 0.0 111.676 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.733 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 16.7 m -87.23 16.48 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.986 -174.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -70.45 -17.95 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 0.0 110.21 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.12 36.49 3.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.245 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 50.3 m -56.93 -37.26 71.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.878 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.94 -22.28 65.95 Favored 'General case' 0 C--N 1.334 -0.109 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.25 -51.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.4 m -61.59 -35.98 79.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.777 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.4 mm-40 -64.24 -40.69 96.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.017 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -63.48 -28.79 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.442 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.11 -1.41 57.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.76 0.314 . . . . 0.0 110.993 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 85' ' ' ASN . 0.9 OUTLIER 65.71 41.18 4.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.334 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.23 -178.05 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.65 -155.03 9.51 Favored Glycine 0 CA--C 1.522 0.498 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.35 176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -73.67 157.25 87.78 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.891 0.346 . . . . 0.0 111.063 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.733 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.4 Cg_exo -73.94 113.83 3.88 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.833 2.356 . . . . 0.0 112.081 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.4 mt -76.44 -42.53 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.285 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 t -147.84 151.71 36.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -152.39 126.13 8.95 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.17 -175.75 42.24 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.222 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.662 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 26.9 Cg_exo -61.89 103.34 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.887 2.392 . . . . 0.0 111.692 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.482 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.4 t80 -99.29 -68.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.913 -171.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.2 tp -113.64 151.68 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 111.505 -170.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.63 138.3 37.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.528 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.71 HG21 ' HE3' ' A' ' 58' ' ' MET . 14.4 t -144.28 151.3 39.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -109.38 58.34 0.61 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.502 0.668 . . . . 0.0 110.904 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.5 m -143.73 79.74 13.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.739 175.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.19 57.69 6.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.366 2.711 . . . . 0.0 112.277 -177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.731 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -144.33 -41.07 0.26 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.258 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.4 p -78.18 -10.74 59.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.542 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' MET . 11.5 p -89.91 143.31 26.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.881 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -123.94 154.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.384 0.612 . . . . 0.0 111.959 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 mt -118.72 130.82 73.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.715 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 0.9 OUTLIER -118.93 153.15 35.05 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.684 -0.407 . . . . 0.0 109.948 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.2 168.48 19.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 117.35 -102.47 1.01 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.485 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.892 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -124.66 137.04 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -52.29 116.08 2.06 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.674 0.608 . . . . 0.0 111.548 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 108.33 -13.52 36.55 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.537 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -98.95 132.06 44.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.193 0.521 . . . . 0.0 110.762 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.571 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 94.7 m-85 -114.15 39.45 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.031 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -60.4 -44.01 96.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.175 -174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -150.44 94.28 2.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.006 0.432 . . . . 0.0 110.224 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.3 m -108.52 148.76 29.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 t -124.43 175.46 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -62.29 139.4 58.52 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.677 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -81.21 62.99 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.914 -176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 121' ' ' ARG . 0.8 OUTLIER -79.65 91.47 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -144.72 166.61 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.019 -176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -59.45 -41.12 88.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.613 0.642 . . . . 0.0 111.025 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 ptp -128.38 166.32 18.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.7 t -158.54 97.71 1.48 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.459 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -87.94 128.39 35.37 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 172.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -70.24 132.5 45.83 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.45 125.74 27.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.468 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -114.44 144.83 18.45 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.707 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 89' ' ' PRO . 3.6 tt -129.26 142.4 50.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.601 ' N ' HD23 ' A' ' 130' ' ' LEU . 87.3 m -119.79 109.17 15.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.477 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.651 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 52.1 m -101.31 154.33 18.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 19.9 mt -68.59 90.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.556 0.217 . . . . 0.0 111.544 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.559 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 10.8 tp10 . . . . . 0 C--O 1.251 1.161 0 O-C-N 124.078 0.861 . . . . 0.0 109.347 176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 120.669 0.271 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -118.22 100.67 7.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.103 0.478 . . . . 0.0 110.282 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 29' ' ' TYR . 20.2 t -143.68 152.81 41.79 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.02 32.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.123 0.487 . . . . 0.0 111.86 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.401 ' H ' ' C ' ' A' ' 27' ' ' SER . 62.9 m-85 -125.28 3.41 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.954 173.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 42.2 m-20 -109.62 138.65 20.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.091 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 23.3 Cg_exo -65.38 -21.1 61.34 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.26 2.64 . . . . 0.0 112.673 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.53 -7.1 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -83.62 81.38 8.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.339 0.59 . . . . 0.0 109.529 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -76.6 129.23 36.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.06 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -140.5 158.08 44.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -149.82 153.73 37.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.274 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.1 mt -107.03 124.95 50.39 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.497 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.575 ' HA ' HH11 ' A' ' 39' ' ' ARG . 43.5 p -65.74 148.27 52.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.618 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.575 HH11 ' HA ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -75.62 60.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.159 0.504 . . . . 0.0 110.723 -178.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -69.35 -42.36 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.67 -48.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.654 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -143.82 174.16 11.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.63 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.16 -8.05 56.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.498 -174.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 13.2 t -127.99 31.03 5.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.637 0.732 . . . . 0.0 109.105 173.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -154.68 98.99 2.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.05 -178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.86 -151.48 11.81 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.983 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.26 142.38 39.54 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.47 106.1 14.95 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.783 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.54 126.52 52.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.003 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.9 m -117.45 151.2 19.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.614 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -82.9 101.27 10.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.702 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.16 -173.49 3.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.121 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -79.23 56.08 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 0.0 110.305 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -172.6 -40.67 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.737 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.52 -141.97 7.51 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.0 m95 -92.68 121.12 33.77 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 117.097 0.448 . . . . 0.0 110.561 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.421 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -125.31 139.96 53.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.779 -178.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 71.8 mtp -80.25 131.34 35.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.503 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.88 123.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -95.68 140.35 30.62 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 m -66.68 -10.38 45.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.812 -175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -84.18 44.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.398 0.618 . . . . 0.0 109.707 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -123.08 155.84 36.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.08 19.64 8.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.031 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.55 21.09 77.85 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.703 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.0 mmt-85 -89.16 147.07 24.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.189 0.519 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -87.86 173.05 9.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.39 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.3 t -79.24 54.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.206 0.527 . . . . 0.0 110.649 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -147.2 167.53 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -90.51 128.77 36.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -95.17 170.1 9.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.582 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -84.7 48.97 1.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -167.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.558 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 10.1 t70 -170.3 90.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 171.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.05 -11.27 8.82 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.593 2.195 . . . . 0.0 110.972 170.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 m -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.925 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.558 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 15.2 mm100 -56.42 -24.23 43.68 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.845 0.355 . . . . 0.0 111.87 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.75 7.23 37.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.0 p -59.76 -34.92 73.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.65 -39.12 93.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.675 178.549 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -67.02 -50.41 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.092 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.5 m -56.14 -39.6 72.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.666 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.42 -42.58 96.3 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.592 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -68.01 -25.38 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.767 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.06 7.51 37.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.672 0.272 . . . . 0.0 110.908 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.9 28.25 12.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.696 0.76 . . . . 0.0 110.561 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 70.8 m -107.46 172.19 6.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.977 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.55 -138.4 4.59 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.812 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.95 155.76 90.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.408 . . . . 0.0 111.008 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.5 115.79 4.46 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.032 2.488 . . . . 0.0 111.701 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -73.2 -48.7 32.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.407 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.7 p -154.14 143.44 21.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.676 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.841 HD12 HD13 ' A' ' 130' ' ' LEU . 7.9 tt -141.66 145.27 34.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.98 -158.66 28.04 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.417 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.49 117.67 5.21 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.324 2.016 . . . . 0.0 111.366 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 65.0 t80 -137.97 123.32 19.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.8 tp 73.85 125.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 O-C-N 124.176 0.923 . . . . 0.0 111.398 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 48.8 mtmt -91.14 73.32 6.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.717 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.54 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.997 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 55.9 m-85 49.33 62.19 2.75 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.939 0.399 . . . . 0.0 111.106 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.2 m -121.95 89.78 48.37 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.784 -177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.59 50.69 3.3 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.141 2.561 . . . . 0.0 112.647 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 48.3 mt-30 -144.75 -62.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.151 177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.9 m -81.72 -5.06 57.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.776 -177.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.1 p -102.89 151.34 22.57 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.564 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.421 HG23 ' CD2' ' A' ' 57' ' ' HIS . 21.3 pt -124.06 151.09 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 111.092 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.9 mt -113.83 118.85 59.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.194 174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 82.6 m -97.42 138.94 34.1 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.712 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -114.49 133.11 56.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 125.02 -148.7 16.83 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.452 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.31 136.03 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.985 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.0 tp -58.84 121.42 11.1 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.448 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 -18.17 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.923 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -96.6 116.64 29.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 0.0 110.15 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -107.12 12.91 27.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.241 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.3 m -80.07 3.27 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.186 -177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -149.11 81.72 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.269 0.557 . . . . 0.0 110.182 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 40.7 m -127.08 150.16 49.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.458 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 m -125.44 157.87 35.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 64.7 t60 -56.77 130.57 46.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.232 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -73.28 101.41 3.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.034 0.445 . . . . 0.0 109.9 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 6.2 tpm_? -93.23 27.11 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.523 0.678 . . . . 0.0 109.78 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -134.13 117.44 16.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.268 -175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.75 -41.37 92.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.787 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.1 ptp -82.65 56.77 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.382 0.611 . . . . 0.0 111.597 -173.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -119.13 143.0 47.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.691 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -100.47 138.57 37.35 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.6 m -79.98 146.48 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 -176.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.9 tt -84.28 120.45 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.102 0.477 . . . . 0.0 109.902 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.702 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.83 146.42 16.07 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.841 HD13 HD12 ' A' ' 92' ' ' LEU . 63.3 tp -134.49 130.36 36.56 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.2 m -115.23 113.4 23.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.866 175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 59.2 m -101.4 148.29 25.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 79.7 mt -69.42 94.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.059 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.091 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 25' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -137.26 102.89 4.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.753 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 t -133.49 160.04 38.62 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.77 20.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 111.578 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -111.19 -11.4 14.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.828 172.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -86.43 140.79 34.1 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.0 -10.8 25.0 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.939 2.426 . . . . 0.0 112.118 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.17 5.17 52.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.797 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -101.96 137.12 40.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.526 ' N ' HE21 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -128.29 139.69 52.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.18 156.22 41.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.769 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -143.52 153.05 42.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.548 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.3 mt -100.76 125.99 47.27 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.8 p -66.1 161.7 21.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.252 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.13 -67.77 0.22 Allowed 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.346 0.404 . . . . 0.0 110.735 -174.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t 54.64 -88.95 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.483 0.489 . . . . 0.0 111.473 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -115.57 -39.15 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.892 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -162.89 160.57 25.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.674 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.48 -2.35 13.68 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.682 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 48.9 t -121.22 14.58 11.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.736 0.779 . . . . 0.0 109.642 176.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -156.08 89.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.815 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.82 -163.83 20.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.386 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.529 HE21 ' HB3' ' A' ' 95' ' ' PHE . 2.4 mp0 -74.5 146.37 42.78 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.1 tp -86.51 108.01 18.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.035 0.445 . . . . 0.0 110.336 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.02 127.82 56.0 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.579 -0.896 . . . . 0.0 108.579 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.56 154.01 29.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.262 0.553 . . . . 0.0 112.193 -171.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 15.6 t80 -109.42 110.49 21.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.112 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.6 mp -93.01 -67.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.119 0.485 . . . . 0.0 110.13 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -162.55 -38.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -64.5 -45.65 86.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.023 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . 162.55 -140.37 6.5 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -102.35 124.97 48.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.941 0.401 . . . . 0.0 110.52 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -138.13 147.52 44.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.432 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 74.3 mtp -86.46 144.84 27.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.808 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -92.33 140.2 16.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.67 0.271 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 11.3 m -96.09 154.68 17.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.749 177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.597 ' HA ' HD12 ' A' ' 128' ' ' LEU . 16.4 m -83.86 41.31 0.79 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -139.1 32.46 2.15 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 107' ' ' CYS . 57.7 m -98.72 146.28 26.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.367 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 60.79 25.69 15.55 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.683 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.82 18.91 79.15 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.322 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -95.89 127.18 41.69 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.939 0.399 . . . . 0.0 110.274 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.2 p -66.17 165.99 12.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.337 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 24.8 t -77.88 52.39 1.04 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.313 0.578 . . . . 0.0 110.697 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.2 162.09 29.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -84.3 104.34 14.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.535 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 17.6 p90 -74.17 162.77 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.793 0.806 . . . . 0.0 112.101 -173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.57 -25.78 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.002 -1.454 . . . . 0.0 113.314 -165.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -128.79 87.34 55.03 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 121.243 0.544 . . . . 0.0 111.94 -175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.902 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 5.0 Cg_exo -82.13 -3.66 11.65 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 123.249 2.633 . . . . 0.0 111.84 174.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.5 m -59.04 -26.16 64.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.415 -173.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -69.03 -5.67 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.429 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.3 17.72 21.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.996 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 p -54.9 -38.54 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.265 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -62.21 -30.62 71.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.37 -47.88 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.25 -39.77 91.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.806 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 82' ' ' GLN . 7.8 tt0 -65.68 -39.5 91.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -63.92 -28.7 70.01 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.808 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mp -91.66 8.23 37.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.17 48.03 8.73 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.782 0.801 . . . . 0.0 110.948 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.0 m -119.52 179.77 4.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.003 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.13 -148.12 15.09 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.659 -0.781 . . . . 0.0 111.982 177.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.83 152.65 96.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.994 0.426 . . . . 0.0 111.221 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 34.8 Cg_endo -71.3 121.32 7.67 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.566 2.177 . . . . 0.0 111.875 176.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tt -79.1 -49.9 11.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.832 -175.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 p -155.4 149.91 26.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.911 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -136.86 120.66 17.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 128' ' ' LEU . . . -178.54 -141.1 4.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.94 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -80.21 150.26 20.03 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.475 2.116 . . . . 0.0 112.37 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.529 ' HB3' HE21 ' A' ' 47' ' ' GLN . 0.2 OUTLIER -139.89 125.13 18.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.303 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.8 mt 59.39 -176.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.519 0.676 . . . . 0.0 111.368 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -137.23 52.97 1.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.989 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 m -78.52 -29.91 46.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.181 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.494 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 59.7 m-85 52.13 27.05 4.26 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 172.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.0 m -82.08 105.74 5.11 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.604 0.24 . . . . 0.0 110.944 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 83.3 Cg_endo -82.36 -2.7 11.22 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.972 2.448 . . . . 0.0 113.207 -173.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -90.4 -25.84 20.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m -98.11 -15.76 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.929 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.466 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 16.9 p -106.56 158.33 17.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.771 -174.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.0 pt -134.45 157.16 41.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.887 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.37 123.75 67.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.879 176.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 94.8 m -96.48 150.59 20.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.469 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -124.02 167.16 14.55 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.08 -134.08 11.58 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.991 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -101.64 141.4 34.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 111.31 -174.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.82 112.79 0.76 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.502 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.07 -15.42 23.29 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.6 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.206 0.527 . . . . 0.0 110.708 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -94.3 22.04 6.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.593 0.711 . . . . 0.0 109.579 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.0 m -90.74 15.85 10.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.37 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -160.76 81.18 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.414 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 19.0 m -134.17 148.28 50.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.338 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.5 m -137.14 162.48 33.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -68.25 129.77 40.91 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -61.9 120.98 11.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.441 0.463 . . . . 0.0 111.721 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -84.54 -2.67 57.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.623 0.725 . . . . 0.0 109.398 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -97.67 113.19 24.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.03 31.26 0.55 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.369 0.604 . . . . 0.0 111.946 -172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.1 ptp -152.07 46.9 0.77 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.9 t -69.82 129.88 40.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.881 -173.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -78.47 118.67 20.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.684 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 p -68.75 134.83 50.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.8 tt -98.51 146.49 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.439 -177.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -147.32 168.1 28.43 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.375 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 ' HG ' ' A' ' 92' ' ' LEU . 59.6 tp -132.95 134.93 45.18 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 87.4 m -112.41 112.52 24.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.055 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 39.5 m -103.34 152.97 20.94 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.3 101.8 0.19 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.97 0.414 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.474 178.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.505 0.193 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -125.15 64.45 1.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.016 0.436 . . . . 0.0 110.848 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 29' ' ' TYR . 3.7 p -115.81 153.74 30.92 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 33.72 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' H ' ' C ' ' A' ' 27' ' ' SER . 72.2 m-85 -124.33 -14.98 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.729 172.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 36.9 m-20 -82.6 141.81 45.39 Favored Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 12.1 Cg_exo -71.48 -2.68 11.67 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.137 2.558 . . . . 0.0 112.112 176.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.28 -10.64 22.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.82 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -83.11 106.39 14.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.125 0.488 . . . . 0.0 110.563 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.8 mt-30 -98.41 130.5 45.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.972 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.32 155.46 42.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.962 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.481 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.1 ptp180 -146.8 161.19 41.17 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.025 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 44' ' ' CYS . 84.3 mt -107.86 132.64 53.23 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 169.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.2 p -65.23 158.71 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.729 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.15 -70.69 0.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.28 0.362 . . . . 0.0 110.037 -175.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 t 58.66 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.747 0.655 . . . . 0.0 111.49 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -127.83 -39.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.629 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 23.3 t -160.07 165.21 32.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.335 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.44 -31.66 72.4 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.654 0.264 . . . . 0.0 111.436 -176.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 98.7 m -110.9 33.37 4.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.132 0.491 . . . . 0.0 110.148 177.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 59.8 tt0 -156.4 80.74 0.97 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.693 -178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.51 -161.07 16.1 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.47 140.11 32.53 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -82.07 113.1 19.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.281 0.562 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -116.21 127.25 54.61 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.66 149.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 0.0 111.968 -171.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.513 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 51.9 t80 -93.7 100.24 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.845 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.07 -163.84 1.09 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.646 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -55.17 -41.05 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.463 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -82.63 -26.04 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.766 0.317 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.07 -151.24 20.19 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.779 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -71.28 118.55 14.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 111.287 -177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' HD2' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER -137.53 150.5 47.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.435 176.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -89.81 151.67 21.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.2 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -104.42 134.36 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 t -92.65 143.43 26.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.764 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.2 m -73.37 62.05 0.69 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.99 0.424 . . . . 0.0 111.594 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -162.52 51.85 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -119.69 154.13 34.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.109 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 60.84 -89.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.171 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.41 27.42 1.22 Allowed Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -121.2 128.85 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -85.41 -169.73 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.462 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -78.65 51.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.532 . . . . 0.0 110.87 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.667 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -123.36 165.31 17.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.105 179.027 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -94.0 89.93 6.25 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.425 ' HH2' HD11 ' A' ' 128' ' ' LEU . 49.3 p90 -72.26 170.27 14.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -171.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -93.07 33.26 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.664 -170.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -149.2 61.39 5.3 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.106 0.479 . . . . 0.0 110.187 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -87.22 -16.21 3.36 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.538 2.158 . . . . 0.0 112.187 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.492 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 13.6 m -62.43 -17.14 58.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.689 -175.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -58.87 -31.09 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.822 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.28 11.34 28.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.804 -174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 p -60.75 -29.92 69.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.833 0.349 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -70.37 -26.11 63.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.78 -46.81 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 68.9 m -58.03 -39.88 79.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.202 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -59.76 -43.69 94.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -66.74 -21.63 66.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.598 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.72 5.74 43.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 59.29 49.38 9.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.731 0.777 . . . . 0.0 111.236 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.1 m -127.95 168.05 15.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.303 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.27 -160.95 12.88 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.212 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.46 153.12 62.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.385 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.492 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 21.0 Cg_exo -64.72 116.14 3.63 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.933 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 tt -75.07 -48.28 24.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 p -148.16 148.29 30.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.565 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.672 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -142.56 115.06 8.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.18 -132.0 2.23 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.124 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -88.66 111.11 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.618 2.212 . . . . 0.0 112.66 177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.632 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 27.2 t80 -119.51 104.54 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.1 tp 69.27 166.48 0.27 Allowed 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.83 0.706 . . . . 0.0 110.212 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -122.85 97.54 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.972 -0.455 . . . . 0.0 110.943 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.9 m -79.27 -33.32 43.56 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 48.14 52.35 13.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.739 170.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.3 m -111.25 97.29 34.8 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.958 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.2 54.55 2.77 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 123.456 2.771 . . . . 0.0 112.763 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 23.2 tt0 -157.98 -59.83 0.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.594 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.441 ' O ' ' HD2' ' A' ' 57' ' ' HIS . 5.2 p -84.08 -22.93 31.0 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.332 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -87.87 95.61 10.17 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.8 pt -98.85 167.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 0.0 111.855 -170.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -112.73 124.63 69.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.578 -177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 76.3 m -94.65 151.06 19.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.904 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -124.4 160.78 27.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.385 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.25 -156.27 15.67 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.062 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -75.47 145.08 41.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.48 109.35 0.48 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.939 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.62 -10.59 16.28 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.414 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -97.75 112.02 24.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.119 0.485 . . . . 0.0 110.129 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -102.33 20.5 16.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.976 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.3 m -76.92 1.77 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.674 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -156.66 93.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.618 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 34.4 m -122.31 133.25 54.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.953 0.406 . . . . 0.0 109.979 178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -119.16 168.06 11.23 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.084 0.469 . . . . 0.0 111.22 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 26.7 t60 -62.6 125.33 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.362 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.3 t -65.38 121.57 15.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.403 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.427 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 11.7 tpt180 -118.68 31.12 6.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.365 0.602 . . . . 0.0 109.83 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -103.72 140.24 37.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.246 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -57.24 -33.51 67.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.199 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.1 ptp -107.57 136.86 46.62 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.1 t -146.21 112.38 5.78 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -107.2 147.21 30.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.718 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.6 m -72.09 119.85 16.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.423 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.425 HD11 ' HH2' ' A' ' 71' ' ' TRP . 26.8 tp -68.1 116.31 8.58 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.632 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -115.81 150.34 18.66 Favored Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.759 -175.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.672 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.7 tp -132.27 123.06 26.17 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 90.7 m -109.54 112.3 24.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.699 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 60.0 m -96.18 146.11 24.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.2 116.44 4.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 111.311 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.993 175.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.806 0.336 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.46 74.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.183 174.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 29' ' ' TYR . 81.2 p -117.82 157.32 26.82 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.52 24.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 111.963 -177.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.416 ' H ' ' C ' ' A' ' 27' ' ' SER . 58.7 m-85 -119.78 -2.69 10.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.047 172.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 58.6 m-20 -89.94 141.53 28.18 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.161 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 13.6 Cg_exo -69.59 -17.84 38.13 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.826 2.35 . . . . 0.0 111.54 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.04 -7.69 59.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.12 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 80.4 t80 -80.76 118.95 22.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.0 0.428 . . . . 0.0 110.846 -176.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -114.08 133.55 55.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.108 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 163.31 36.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.906 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.5 ptp180 -142.23 149.2 39.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.007 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 130' ' ' LEU . 95.0 mt -98.89 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 168.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 26.1 p -55.28 138.36 45.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -74.32 66.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.639 0.733 . . . . 0.0 111.638 -173.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.1 m -75.02 -52.52 10.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.088 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.33 -43.13 3.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.768 174.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.4 t -155.66 176.97 11.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.062 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -74.06 -19.12 60.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.85 0.357 . . . . 0.0 110.418 -176.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.0 t -117.06 25.93 10.14 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 109.722 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -158.79 102.03 1.66 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.062 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.91 -158.83 29.85 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.535 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 33.4 mt-30 -79.28 132.33 36.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -76.37 124.77 28.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.143 0.496 . . . . 0.0 111.272 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -122.59 132.88 54.5 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.72 153.21 22.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.712 0.291 . . . . 0.0 111.347 -173.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -94.64 98.86 11.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD11 HD13 ' A' ' 105' ' ' ILE . 81.1 mt -90.26 -172.81 3.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.954 178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.65 -40.96 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 111.145 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -83.5 -10.5 58.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.417 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.27 -153.24 17.99 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.875 -177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -72.73 133.37 44.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.047 0.451 . . . . 0.0 111.67 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 137.96 27.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.748 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.8 mtp -82.44 159.05 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.334 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG21 ' HE2' ' A' ' 114' ' ' PHE . 37.4 t -110.85 136.34 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.728 0.299 . . . . 0.0 110.407 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.2 t -95.94 141.64 29.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 m -76.94 45.15 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.913 0.387 . . . . 0.0 111.855 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -136.91 33.73 2.64 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.1 m -105.22 159.48 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.564 -174.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 58.4 28.3 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.645 174.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.34 18.4 71.41 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.955 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -97.89 134.77 40.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -74.36 161.92 29.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.693 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.0 m -74.48 58.17 0.75 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.337 0.589 . . . . 0.0 111.752 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -137.39 151.26 48.36 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -63.15 98.55 0.14 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.144 0.277 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -66.21 132.21 47.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 170.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 23.0 mt-10 -89.97 52.43 2.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.491 0.663 . . . . 0.0 110.755 -168.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.516 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 13.0 m-20 -135.49 53.71 9.14 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.87 175.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 6.1 Cg_exo -74.91 -23.53 13.91 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.788 2.325 . . . . 0.0 112.537 -171.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.671 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 8.2 m -61.9 -17.34 56.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.061 -175.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.56 -19.13 65.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.69 0.281 . . . . 0.0 111.264 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.47 17.68 21.0 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.283 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 p -55.96 -37.28 68.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.055 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -59.3 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.388 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.9 t -66.12 -52.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 31.3 m -57.34 -41.37 79.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.442 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.63 -40.82 96.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.478 -177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.756 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.5 mmp_? -81.74 -4.83 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.656 -0.418 . . . . 0.0 112.08 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.63 11.17 37.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.534 168.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.27 33.93 13.72 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.452 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.58 168.06 9.75 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.751 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.89 -134.06 3.39 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.68 153.07 83.33 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 120.69 0.281 . . . . 0.0 110.871 -176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.671 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 6.2 Cg_exo -75.51 132.41 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.96 2.44 . . . . 0.0 111.672 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.13 -52.49 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.132 -177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -142.29 147.43 36.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.723 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.3 tt -144.63 119.76 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 171.57 -137.38 4.31 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.078 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.07 121.12 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.702 2.268 . . . . 0.0 111.787 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.595 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 32.9 t80 -138.03 117.31 12.72 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.184 -0.207 . . . . 0.0 110.561 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 97' ' ' LYS . 6.0 tt 70.61 141.41 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.9 0.75 . . . . 0.0 110.275 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' N ' HD23 ' A' ' 96' ' ' LEU . 49.9 mtmt -117.55 87.1 2.64 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.953 -0.467 . . . . 0.0 111.496 -175.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -81.23 -26.72 35.64 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 172.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 44.7 t80 50.55 62.73 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.219 174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.8 m -125.03 85.0 58.44 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.866 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.72 53.26 2.71 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.497 2.798 . . . . 0.0 112.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -143.73 -51.18 0.32 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.538 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.1 m -79.66 -7.07 58.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.2 175.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 p -106.99 143.0 35.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.736 HD13 HD11 ' A' ' 52' ' ' LEU . 30.8 pt -113.15 157.99 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.463 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.8 mt -118.3 119.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -95.78 147.98 23.06 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -126.36 143.7 51.08 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 114.72 -143.09 17.95 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.24 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -70.82 128.86 37.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 111.606 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.8 tp -53.95 111.9 0.84 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.862 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.64 21.44 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.614 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.3 t -92.35 122.52 34.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.039 0.447 . . . . 0.0 110.463 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.9 m-85 -106.53 22.71 15.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.393 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.3 m -94.36 2.87 55.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.694 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -146.52 77.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.5 m -130.61 143.26 50.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.335 -177.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -119.88 160.56 22.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.152 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -66.55 136.31 55.45 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 t -57.48 97.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.534 0.521 . . . . 0.0 111.438 -176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 6.1 tpt180 -111.15 21.71 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.752 0.787 . . . . 0.0 109.401 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -94.71 172.76 7.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.343 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.19 -59.84 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.339 -175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.9 ptp -118.12 160.14 22.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.5 t -146.47 149.3 33.39 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.149 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -132.01 140.44 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.402 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 13.4 m -71.59 125.45 27.12 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 123.225 0.328 . . . . 0.0 110.636 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.0 tp -73.14 119.08 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.248 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.595 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -110.9 138.17 14.78 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.761 -177.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.723 HD13 ' HG ' ' A' ' 92' ' ' LEU . 64.1 tp -132.57 128.02 36.32 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.1 m -116.57 120.13 37.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.0 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.731 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.9 m -116.36 154.2 30.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.02 89.96 0.31 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.806 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.251 1.147 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 172.061 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HA ' ' OG ' ' A' ' 115' ' ' SER . 71.7 mtm180 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.0 mt -130.03 60.06 1.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.126 0.489 . . . . 0.0 110.136 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 3.5 m -89.79 154.8 19.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.24 16.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.089 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.681 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.5 m-85 -107.0 -3.31 20.23 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.389 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -95.69 139.36 21.86 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.756 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -8.62 21.14 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.982 2.454 . . . . 0.0 111.868 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.79 -12.32 51.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.88 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.12 127.06 32.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.115 -174.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -118.97 128.38 54.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.813 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.34 164.21 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.662 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.476 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -145.67 143.72 29.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.295 179.225 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.525 ' H ' HD21 ' A' ' 84' ' ' LEU . 91.0 mt -98.06 127.29 43.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 170.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.627 ' HB ' ' NH1' ' A' ' 39' ' ' ARG . 75.8 p -58.88 147.38 34.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.473 0.483 . . . . 0.0 111.463 -175.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.627 ' NH1' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.16 52.18 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.456 179.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -70.3 -70.09 0.32 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.218 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -119.72 -38.86 2.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.996 0.427 . . . . 0.0 111.055 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.92 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 45.7 t -136.89 156.54 48.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.239 -177.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.588 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -60.44 -21.91 62.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.116 179.795 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 92.9 m -131.6 40.69 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.128 0.489 . . . . 0.0 110.177 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.92 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 44.0 tt0 -152.85 100.74 2.54 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.536 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.98 -158.87 24.16 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.216 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.78 142.9 36.59 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 tp -88.68 108.65 19.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.826 0.346 . . . . 0.0 110.971 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 51.6 mt-10 -103.0 128.84 49.66 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 170.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.19 148.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.837 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -93.8 105.46 17.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.969 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.97 -158.75 0.68 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.286 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.0 -38.26 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.63 4.65 53.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 111.408 -176.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.43 -147.53 18.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.118 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -80.98 130.9 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.818 0.342 . . . . 0.0 110.605 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.66 144.19 32.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.951 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.424 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.0 mtp -79.95 147.26 31.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.393 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -99.17 133.53 41.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.884 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.4 t -92.21 134.08 35.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 m -59.27 -21.7 60.03 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.269 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.453 HE21 ' HB2' ' A' ' 68' ' ' SER . 7.3 tp-100 -87.82 68.69 9.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.496 0.665 . . . . 0.0 109.839 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.0 m -127.32 158.87 36.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.009 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.08 18.65 9.21 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.541 0.526 . . . . 0.0 112.301 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.71 96.54 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.435 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -108.78 150.19 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.995 0.397 . . . . 0.0 110.322 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -55.92 132.11 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.453 ' HB2' HE21 ' A' ' 62' ' ' GLN . 32.4 t -77.55 51.78 0.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.245 -172.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 28.1 mtpp -124.56 -92.47 0.52 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 170.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.647 ' HG2' ' HA3' ' A' ' 93' ' ' GLY . 54.0 mt-30 -154.3 121.38 5.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -76.86 128.66 34.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 170.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.78 46.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.806 0.812 . . . . 0.0 110.699 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -148.06 64.15 7.98 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.528 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.99 -9.86 8.46 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.965 2.443 . . . . 0.0 113.784 -168.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.5 m -72.12 -6.39 42.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.13 -175.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -64.72 -23.26 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.035 0.445 . . . . 0.0 110.449 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.57 25.64 3.4 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.3 p -57.94 -43.78 86.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.888 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.681 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 29.4 mtpp -67.83 -17.02 64.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.74 -53.46 20.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.4 m -62.49 -38.25 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 79' ' ' LYS . 33.6 tt0 -57.78 -45.55 85.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.693 175.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.688 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.525 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.99 8.68 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.593 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.8 t30 63.65 49.26 3.06 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.045 176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m -132.69 173.7 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.472 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.58 -167.82 29.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.74 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.2 155.57 90.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.969 0.414 . . . . 0.0 111.681 -174.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.458 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 17.7 Cg_exo -65.32 121.6 9.08 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.257 2.638 . . . . 0.0 112.715 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.0 mt -83.37 -51.27 7.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 p -145.37 149.08 34.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.709 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 130' ' ' LEU . 67.8 tp -141.95 135.79 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.647 ' HA3' ' HG2' ' A' ' 70' ' ' GLN . . . 167.05 -139.36 5.69 Favored Glycine 0 C--O 1.223 -0.537 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.954 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 61.3 Cg_endo -93.9 126.57 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.96 2.44 . . . . 0.0 112.546 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 57.6 t80 -139.76 116.15 10.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 49.9 tp 57.97 85.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.853 0.721 . . . . 0.0 111.234 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 97' ' ' LYS . 48.9 mtmt -65.11 96.41 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -65.73 -28.13 68.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 176.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.43 71.03 0.55 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.363 172.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m -149.45 99.66 3.38 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.588 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.43 -19.39 64.14 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.211 2.607 . . . . 0.0 113.078 -174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.665 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 28.6 tt0 -84.33 -36.43 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.908 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.1 m -83.94 -17.09 41.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.066 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 p -111.8 150.35 30.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.903 0.383 . . . . 0.0 110.686 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.424 HG12 ' O ' ' A' ' 58' ' ' MET . 25.3 pt -123.06 157.34 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 44.9 mt -116.16 127.09 73.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.452 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.6 m -101.1 145.87 28.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.967 0.413 . . . . 0.0 111.522 -176.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -126.04 149.52 48.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.648 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.04 -143.97 16.5 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.23 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -77.13 136.96 38.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.896 0.379 . . . . 0.0 110.782 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.6 tp -55.51 112.79 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.269 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.39 -5.3 38.1 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.592 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.1 t -101.49 118.41 36.9 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.483 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -98.41 32.18 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.557 0.694 . . . . 0.0 109.505 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.42 ' OG ' ' HA ' ' A' ' 25' ' ' ARG . 12.9 m -78.89 -18.95 53.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.076 -177.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -144.63 88.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.314 0.578 . . . . 0.0 110.278 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.2 m -124.33 154.98 39.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.028 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.5 m -136.68 175.41 9.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.608 0.242 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.665 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.2 t60 -58.07 139.15 55.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.2 t -68.74 95.78 0.69 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.409 0.623 . . . . 0.0 110.032 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -94.05 16.01 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.564 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.659 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 42.0 t-20 -116.13 128.59 55.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.96 -15.79 56.55 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.659 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.4 ptp -93.16 35.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.751 0.786 . . . . 0.0 109.964 177.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.46 152.18 43.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.08 -177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -134.94 135.21 41.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.99 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.6 m -68.86 122.74 19.24 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 93' ' ' GLY . 34.6 tp -72.02 125.05 26.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.401 . . . . 0.0 110.079 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.519 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -119.24 138.37 13.39 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.865 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.758 HD13 HD13 ' A' ' 92' ' ' LEU . 61.8 tp -125.58 129.39 49.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.8 m -110.34 106.94 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.046 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.5 m -93.16 148.89 21.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.96 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.98 101.11 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.103 0.478 . . . . 0.0 110.285 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.225 177.034 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.788 0.328 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -113.31 86.98 2.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.359 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 7.9 m -95.43 153.75 17.54 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.76 12.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -102.52 -12.59 17.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.087 171.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -78.7 148.03 72.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.226 0.536 . . . . 0.0 111.273 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.505 ' HA ' ' NH2' ' A' ' 83' ' ' ARG . 58.7 Cg_endo -71.62 -9.07 24.42 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 123.521 2.814 . . . . 0.0 112.823 -178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -102.74 6.6 39.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -80.15 135.71 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.027 0.441 . . . . 0.0 111.1 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -134.47 131.7 38.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.114 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.5 160.28 39.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -142.7 166.51 24.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.591 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 90.2 mt -112.91 140.55 47.63 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.8 p -67.96 168.55 11.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.414 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.759 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -84.62 53.15 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.938 -172.008 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.8 m -74.1 -71.08 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.759 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -111.19 -54.24 2.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.501 . . . . 0.0 109.741 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 t -150.67 -170.84 3.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.006 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -76.78 -25.84 53.83 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.313 -175.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.3 m -101.22 18.09 20.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.951 -0.299 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -151.96 108.25 3.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.966 0.412 . . . . 0.0 111.342 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 171.81 -162.85 35.24 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.776 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 2.2 mp0 -76.69 145.53 38.68 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.88 115.93 23.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.023 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -111.61 123.72 50.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.508 172.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.56 153.48 8.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.222 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -93.3 112.5 24.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.375 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD11 HD13 ' A' ' 105' ' ' ILE . 80.7 mt -111.63 -170.42 1.65 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.2 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -51.34 -47.46 62.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -84.75 1.66 45.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.89 -143.79 17.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.578 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -78.86 134.71 36.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.966 0.412 . . . . 0.0 111.178 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.428 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.38 135.37 23.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.778 176.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 105' ' ' ILE . 61.5 mtp -74.77 150.32 39.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.518 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.33 134.25 34.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.836 0.35 . . . . 0.0 110.501 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.8 t -92.79 147.09 23.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.272 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' HG3' ' A' ' 94' ' ' PRO . 16.4 m -81.29 32.75 0.34 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -175.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.847 HE21 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -131.53 31.27 4.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.734 0.778 . . . . 0.0 108.964 174.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.7 m -101.05 155.06 18.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.793 -176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 59.05 27.44 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.766 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 19.02 76.28 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.886 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -101.03 146.35 27.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.005 0.431 . . . . 0.0 110.432 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.6 p -110.35 -165.87 1.04 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.3 t -74.55 70.96 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.175 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -129.83 149.56 51.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.224 -179.097 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -104.54 85.25 2.3 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 169.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -65.92 163.55 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -86.05 49.95 1.88 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.845 -171.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -161.18 80.08 2.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.234 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.84 -16.37 18.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 111.268 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 3.7 p -69.42 -3.35 14.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.104 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -54.46 -31.26 55.24 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.598 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.27 29.7 7.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.774 0.321 . . . . 0.0 111.635 -175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.0 p -58.19 -37.57 75.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.283 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.749 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 10.8 mmpt? -69.87 -30.0 67.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.306 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.05 -45.47 90.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.4 m -59.66 -37.99 80.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.273 176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -64.05 -40.11 95.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.931 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.505 ' NH2' ' HA ' ' A' ' 31' ' ' PRO . 40.6 mmt180 -63.54 -31.85 73.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 72.3 mt -92.84 -0.63 57.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.109 0.48 . . . . 0.0 110.958 179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 57.91 44.99 19.0 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.417 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.59 -175.66 2.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.776 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.55 -166.94 39.6 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.551 ' OD1' ' HD2' ' A' ' 89' ' ' PRO . 34.7 t70 -66.23 143.24 98.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 C-N-CA 122.642 0.377 . . . . 0.0 110.723 -177.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.551 ' HD2' ' OD1' ' A' ' 88' ' ' ASP . 31.9 Cg_endo -67.93 116.56 4.36 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.766 2.31 . . . . 0.0 112.282 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 133' ' ' LEU . 3.7 tt -79.02 -50.19 11.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.925 -177.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 p -144.09 143.05 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.087 -174.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 93' ' ' GLY . 6.0 tt -137.79 128.95 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.419 ' N ' HD23 ' A' ' 92' ' ' LEU . . . 157.91 -162.52 32.2 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.014 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 61' ' ' SER . 21.6 Cg_exo -65.23 97.12 0.29 Allowed 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.619 2.212 . . . . 0.0 110.839 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -91.47 -29.12 17.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.246 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 tp -146.61 157.17 43.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -128.26 74.89 1.58 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.081 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -8.06 59.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.585 0.707 . . . . 0.0 111.554 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.523 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 20.7 t80 55.35 45.21 25.95 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.483 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.3 m -114.03 87.3 12.68 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.725 0.297 . . . . 0.0 111.214 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 2.0 Cg_endo -82.18 50.44 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 123.171 2.581 . . . . 0.0 111.492 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.791 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -128.73 -58.6 1.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.051 -178.306 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m -87.24 12.77 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.654 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.0 p -112.4 148.72 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.164 0.506 . . . . 0.0 111.464 -176.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 52' ' ' LEU . 31.7 pt -121.04 154.05 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.1 131.36 67.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.5 t -118.97 156.31 29.81 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.101 -173.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.482 ' HB2' HD22 ' A' ' 116' ' ' ASN . 50.8 m-85 -129.07 160.51 32.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.779 -177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.0 -156.39 15.61 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.622 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -68.41 136.92 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.227 0.211 . . . . 0.0 110.463 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.73 114.27 1.99 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.039 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.64 -8.51 32.23 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.633 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 5.9 t -102.69 115.37 30.46 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 120.977 0.418 . . . . 0.0 110.502 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -93.47 41.69 1.09 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.625 0.726 . . . . 0.0 109.439 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.8 m -81.7 -43.61 18.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.515 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.482 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.6 t30 -119.26 75.49 1.05 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.209 0.528 . . . . 0.0 110.157 -176.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.7 m -108.64 158.81 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.061 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.6 m -147.53 168.2 22.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.447 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -62.38 132.31 52.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.0 t -74.08 100.82 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.216 0.531 . . . . 0.0 110.911 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -103.97 45.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.92 0.867 . . . . 0.0 108.886 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -116.9 125.28 51.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.024 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.19 -27.86 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.895 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.0 ptp -99.43 42.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 110.249 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.88 105.5 9.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.765 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -94.82 139.26 31.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -75.91 122.08 23.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 -173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.75 137.33 37.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.87 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -137.52 162.58 25.46 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.721 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 58.3 tp -131.72 139.69 49.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.6 m -119.93 104.8 10.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.638 0.256 . . . . 0.0 110.695 175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 55.8 m -94.63 137.01 34.28 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 174.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.428 ' CD2' HD12 ' A' ' 90' ' ' LEU . 89.0 mt -60.8 121.03 11.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.752 0.31 . . . . 0.0 111.567 -176.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.047 173.115 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.495 HH11 ' HG3' ' A' ' 25' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.43 HD12 HD22 ' A' ' 52' ' ' LEU . 61.7 mt -133.02 100.22 4.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.503 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -101.54 146.54 27.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -68.48 1.24 3.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.932 -178.516 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.63 -5.49 24.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.832 0.349 . . . . 0.0 110.127 177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -71.03 142.52 87.71 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.04 -18.87 57.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -124.3 33.27 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.555 0.693 . . . . 0.0 110.573 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 86.0 t80 -76.68 125.89 30.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -109.95 121.04 44.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.028 0.442 . . . . 0.0 111.259 -174.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.74 163.11 38.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.398 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.21 170.89 21.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.379 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 44' ' ' CYS . 49.1 mt -117.33 142.41 47.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.959 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.5 p -63.81 167.43 6.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.669 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.1 mmm-85 -76.26 53.09 0.79 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.968 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 m -81.78 -24.15 36.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -170.15 -56.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 t -145.83 170.66 16.1 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.592 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -76.19 -3.08 34.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -171.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.632 ' HA ' HD12 ' A' ' 37' ' ' LEU . 89.7 m -118.23 24.24 11.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 111.632 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 18.9 pt20 -161.05 120.6 2.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.301 0.572 . . . . 0.0 110.497 172.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.65 -151.61 23.25 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.024 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.01 134.97 36.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 37' ' ' LEU . 51.5 tp -80.88 118.87 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.109 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -112.38 134.1 54.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.595 173.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.47 148.12 19.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -97.87 101.36 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.136 0.493 . . . . 0.0 110.828 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 26' ' ' LEU . 53.4 mt -99.18 -177.24 3.55 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.44 -27.26 68.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.228 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -79.34 -4.48 51.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.713 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.5 -167.45 12.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.886 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -76.2 120.3 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -136.03 140.7 44.05 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.109 0.48 . . . . 0.0 111.483 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.9 mtp -72.88 145.4 46.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.211 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -93.19 129.37 43.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 120.758 0.313 . . . . 0.0 110.185 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.411 ' HB3' HG12 ' A' ' 106' ' ' ILE . 9.8 t -87.54 141.29 28.73 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.3 m -62.11 -15.14 43.31 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -172.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -91.84 31.5 1.22 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 111.093 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -88.98 155.0 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.852 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 55.53 22.78 5.4 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.416 0.687 . . . . 0.0 112.037 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.61 32.4 78.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.482 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.539 ' HD2' HD13 ' A' ' 111' ' ' LEU . 3.1 mmp_? -78.54 162.46 26.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -79.24 131.69 36.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.887 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.1 t -77.63 71.63 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.299 0.571 . . . . 0.0 110.253 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -154.04 174.48 14.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.64 112.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -73.05 136.79 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.145 0.498 . . . . 0.0 110.443 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -73.62 -25.54 60.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.572 -170.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 78.99 70.93 Favored Pre-proline 0 N--CA 1.464 0.252 0 C-N-CA 120.591 -0.443 . . . . 0.0 111.25 -178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.755 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 15.6 Cg_exo -70.92 -13.58 31.84 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 111.668 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.544 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.4 m -61.0 -27.89 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.791 -175.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -66.22 -8.85 27.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.761 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.78 16.54 26.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.02 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 13.0 p -57.16 -33.39 67.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.905 -178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -52.68 -36.41 57.08 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.45 -48.53 72.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 28.0 m -63.15 -36.01 82.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 78' ' ' SER . 48.8 mt-30 -64.19 -43.4 95.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.953 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -67.73 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 0.0 110.996 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -90.79 2.62 55.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.73 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 59.54 42.49 17.43 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.829 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 92.4 m -126.01 171.31 10.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -75.66 -171.34 30.37 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.491 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.1 155.33 16.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 C-N-CA 123.59 0.756 . . . . 0.0 111.969 -175.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.544 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.1 Cg_endo -81.99 120.6 3.42 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.182 2.588 . . . . 0.0 112.257 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.477 HD11 HD23 ' A' ' 133' ' ' LEU . 79.5 mt -88.0 -44.94 10.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 -177.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.5 m -134.39 149.5 50.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.1 tt -156.77 123.47 5.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.6 -162.4 28.48 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.611 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -64.8 87.16 0.17 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.712 2.274 . . . . 0.0 111.532 176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 96' ' ' LEU . 11.7 t80 -96.73 -26.51 15.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 -176.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 95' ' ' PHE . 5.8 mp -135.13 169.66 17.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.719 177.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -132.82 77.99 1.77 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -71.38 -36.45 71.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.466 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 56.36 69.78 0.71 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.365 0.602 . . . . 0.0 110.641 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.6 m -145.23 85.33 8.12 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.01 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.79 44.99 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.214 2.609 . . . . 0.0 113.281 -175.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -131.47 -52.74 1.01 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.7 m -76.26 -29.04 57.31 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.602 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.2 p -88.26 130.39 35.11 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.801 0.334 . . . . 0.0 110.994 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.54 150.22 17.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.705 178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.411 HG12 ' HB3' ' A' ' 60' ' ' CYS . 44.7 mt -111.13 115.06 48.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.2 t -100.52 154.2 18.74 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.841 -174.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -123.42 156.27 35.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.759 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.43 -148.98 16.88 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.872 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -88.96 146.91 24.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD13 ' HD2' ' A' ' 66' ' ' ARG . 55.3 tp -52.97 112.43 0.85 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.791 0.436 . . . . 0.0 111.626 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.21 -8.3 52.92 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.62 178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 t -104.78 106.88 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.971 0.415 . . . . 0.0 110.293 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.29 60.96 6.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.667 0.746 . . . . 0.0 109.301 176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.1 m -71.44 -55.12 8.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.877 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -136.42 104.4 5.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.807 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.723 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 26.4 m -106.71 144.48 33.3 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.187 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.1 m -117.39 139.74 50.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -67.41 122.79 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -50.15 113.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.722 0.639 . . . . 0.0 112.367 -169.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -87.47 28.75 0.94 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.547 0.689 . . . . 0.0 109.466 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -132.04 136.57 47.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.502 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.19 -27.24 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.832 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.02 150.62 24.09 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.552 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.6 t -162.83 148.66 12.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.119 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -108.92 131.57 54.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.776 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -75.96 121.05 22.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.02 106.47 4.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.955 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -96.86 125.29 8.42 Favored Glycine 0 N--CA 1.441 -0.985 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.781 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 59.4 tp -113.48 130.03 56.42 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.4 m -120.69 106.8 12.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.745 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.4 m -95.53 159.01 15.2 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 90' ' ' LEU . 21.9 mt -63.85 89.39 0.05 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.124 0.488 . . . . 0.0 110.663 175.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.925 178.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 115' ' ' SER . 29.4 mtm-85 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.978 0.418 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 114' ' ' PHE . 93.6 mt -134.27 100.94 4.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -176.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.3 m -84.48 146.64 27.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.607 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -76.83 15.22 0.69 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.663 0.745 . . . . 0.0 110.404 176.552 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 88.5 t80 -106.54 -9.06 16.75 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.094 173.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.49 139.48 86.67 Favored Pre-proline 0 CA--C 1.518 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.449 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.65 -56.84 2.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.235 2.623 . . . . 0.0 113.187 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.44 36.36 2.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.917 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 78.8 t80 -74.77 115.56 14.49 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 173.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -100.31 132.91 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.221 0.534 . . . . 0.0 111.721 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -148.76 154.5 39.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.654 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -130.7 153.82 48.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.9 0.381 . . . . 0.0 110.12 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 130' ' ' LEU . 79.0 mt -111.12 126.03 54.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 171.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 40' ' ' SER . 68.4 p -72.51 170.59 14.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.275 -166.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -75.55 23.69 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.363 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 38' ' ' THR . 31.2 m -73.63 -28.61 61.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.862 0.363 . . . . 0.0 111.008 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' HB3' ' O ' ' A' ' 45' ' ' GLN . 2.1 t-20 -144.79 -58.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.52 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 8.3 t -160.97 163.2 31.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -64.15 -11.26 28.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 23.0 t -117.66 15.49 14.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.956 0.407 . . . . 0.0 110.869 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 14.3 pt20 -167.6 112.91 0.71 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.311 0.577 . . . . 0.0 110.927 177.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.4 -152.19 11.76 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.442 ' HG2' HD13 ' A' ' 96' ' ' LEU . 41.1 mt-30 -71.6 133.56 45.82 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.8 tp -86.05 109.64 18.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.941 0.4 . . . . 0.0 110.749 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -113.05 121.49 44.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.92 175.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.54 153.9 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.121 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -87.87 115.7 25.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.247 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD11 HD13 ' A' ' 105' ' ' ILE . 89.1 mt -112.39 -173.21 2.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.601 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -50.43 -50.17 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.267 0.354 . . . . 0.0 111.676 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.801 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 5.3 m-20 -69.33 -39.67 78.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 0.0 110.801 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.4 -150.37 22.46 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.591 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 91.0 m95 -71.94 135.53 46.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.12 0.486 . . . . 0.0 111.312 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.801 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 69.9 m80 -138.94 141.21 38.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.364 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.536 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 67.3 mtp -80.34 137.2 36.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.194 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.83 125.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.458 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.5 t -84.88 135.78 33.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.78 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.6 m -61.95 -21.57 64.91 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -172.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.59 32.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.7 0.286 . . . . 0.0 111.644 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 m -92.89 154.44 18.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.64 0.257 . . . . 0.0 111.049 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 57.43 -93.31 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.42 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -153.54 39.16 0.7 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.481 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HD3' HD11 ' A' ' 111' ' ' LEU . 10.2 mmm180 -97.55 129.04 44.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.783 0.325 . . . . 0.0 110.215 -177.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.683 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 7.0 m -79.07 162.77 25.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.812 176.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.3 63.1 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.49 0.662 . . . . 0.0 109.667 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.683 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 64.5 pttt -156.27 170.98 21.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.041 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.6 HE22 ' HA ' ' A' ' 91' ' ' SER . 5.2 tp60 -69.31 110.12 4.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -72.78 143.06 48.07 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.09 -2.8 11.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.81 98.27 4.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 121.066 0.46 . . . . 0.0 111.097 174.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -94.15 0.63 3.05 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.158 2.572 . . . . 0.0 112.092 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.2 m -63.43 -19.8 65.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.196 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -55.16 -30.73 60.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.725 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.05 22.17 3.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.495 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 20.9 t -54.26 -49.7 68.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.61 -177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 10.8 mmmm -63.23 -26.29 68.72 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.48 -52.08 45.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.3 m -57.0 -41.97 79.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.676 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 78' ' ' SER . 84.1 mt-30 -67.59 -39.67 84.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -66.62 -23.79 66.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 111.072 177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.57 7.94 41.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 61.06 41.25 14.09 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.442 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 84.6 m -112.87 179.54 3.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.403 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.46 -140.07 3.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.374 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.19 159.71 64.46 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.543 0.211 . . . . 0.0 110.494 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.8 Cg_exo -73.71 134.43 20.16 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.996 2.464 . . . . 0.0 112.341 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -95.72 -54.67 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.6 ' HA ' HE22 ' A' ' 70' ' ' GLN . 15.7 p -138.19 148.34 44.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.798 0.333 . . . . 0.0 110.824 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 130' ' ' LEU . 44.1 tp -148.61 86.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.45 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.54 -163.15 18.32 Favored Glycine 0 C--O 1.225 -0.406 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 92.49 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.318 2.012 . . . . 0.0 112.261 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.573 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.3 t80 -87.34 -25.63 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 -177.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 5.2 mp -128.42 138.98 52.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.724 -178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.481 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 50.3 tttp -90.89 24.21 2.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.859 0.837 . . . . 0.0 109.512 178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.0 m -79.3 134.82 36.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.511 ' HE2' ' HA ' ' A' ' 124' ' ' MET . 19.5 m-85 -107.84 121.12 44.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.611 178.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 m -132.33 83.69 54.22 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.6 65.52 5.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.183 2.589 . . . . 0.0 112.443 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.04 -64.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.452 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 p -87.05 -22.07 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.462 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.536 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 20.1 m -77.6 124.23 27.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 110.274 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 42.8 pt -113.66 162.94 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.082 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.8 tt -128.5 130.92 69.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 174.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.75 155.75 34.6 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.23 -172.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -134.93 161.62 34.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.935 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.53 -125.84 4.52 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -98.77 135.41 40.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.495 HD11 ' HD3' ' A' ' 66' ' ' ARG . 56.7 tp -59.56 103.27 0.18 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.295 0.569 . . . . 0.0 110.743 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.607 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 125.58 -14.99 7.18 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.176 -177.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.771 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 21.1 t -115.91 123.08 47.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.049 0.452 . . . . 0.0 111.126 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 91.3 m-85 -82.3 63.23 6.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 171.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 25' ' ' ARG . 4.8 m -64.73 -60.95 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.701 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -138.65 102.62 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -114.0 150.84 33.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.433 -173.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 p -137.69 177.03 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 59.3 m80 -85.31 136.76 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.5 t -59.58 103.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.562 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 121' ' ' ARG . 47.3 mtm180 -93.44 35.42 1.1 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.368 0.604 . . . . 0.0 110.111 174.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -115.24 165.46 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 174.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -72.3 -44.22 63.05 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.501 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 99' ' ' TYR . 25.4 ptt? -93.77 156.48 16.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.502 -174.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 51.6 t -177.34 130.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.481 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 27.6 m80 -120.22 136.37 54.67 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.453 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.62 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 49.5 m -66.3 118.86 10.57 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.842 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.5 tt -76.07 130.93 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.765 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -116.54 130.85 9.2 Favored Glycine 0 N--CA 1.437 -1.24 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.735 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.911 HD13 HD13 ' A' ' 92' ' ' LEU . 53.6 tp -107.61 122.23 46.26 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.9 m -110.86 108.84 18.78 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.818 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.723 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.7 m -98.43 157.32 16.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.01 93.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.102 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 41.9 tt0 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.254 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.131 0.491 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -104.27 55.8 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 172.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -120.3 156.23 31.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.599 -176.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.436 ' CD1' ' HD1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -73.68 12.44 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.436 ' HD1' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-85 -110.11 -0.85 17.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.001 0.429 . . . . 0.0 110.181 174.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.9 125.69 54.28 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.791 177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.16 -12.59 33.28 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.018 2.478 . . . . 0.0 111.987 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -87.97 -7.96 56.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.137 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -87.73 137.53 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.874 0.368 . . . . 0.0 110.586 -175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -120.15 143.87 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -156.29 170.62 21.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.386 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -147.29 172.33 14.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 44' ' ' CYS . 96.5 mt -115.55 132.79 56.52 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 170.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -58.28 149.92 23.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.583 -175.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -73.73 60.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.784 0.802 . . . . 0.0 111.058 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -87.23 -54.89 4.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.89 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -119.43 -49.6 2.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.216 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -159.97 -179.16 7.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -66.86 -30.41 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 111.598 -175.513 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.83 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 97.0 m -115.54 31.18 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.022 0.439 . . . . 0.0 111.096 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -157.22 100.74 1.86 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.293 0.568 . . . . 0.0 110.217 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.72 -145.58 6.86 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.581 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.759 HE22 ' HB ' ' A' ' 98' ' ' THR . 64.7 mt-30 -104.19 139.36 39.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -70.36 117.12 11.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 111.554 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -120.96 121.43 38.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -108.76 152.83 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -171.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -97.88 95.37 7.47 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.745 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.2 mt -92.03 -170.95 2.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.464 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -56.33 -35.96 68.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.208 -177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.81 -31.29 22.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.546 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.25 -147.29 17.96 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.87 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -84.82 125.39 32.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.118 0.485 . . . . 0.0 111.467 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -135.75 140.96 44.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.402 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 99' ' ' TYR . 78.5 mtp -80.58 141.59 34.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.153 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.31 124.58 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.949 0.404 . . . . 0.0 111.436 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 t -88.17 135.74 33.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -70.58 -8.9 55.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.866 HE21 ' HA ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -74.75 -9.81 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.056 0.455 . . . . 0.0 110.756 177.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -62.43 155.71 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.428 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 61.99 22.63 13.22 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.999 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.61 42.86 97.15 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.464 177.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.541 ' HB3' ' CH2' ' A' ' 71' ' ' TRP . 22.2 mmt180 -111.54 138.87 47.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 111.249 -177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 p -83.78 168.06 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 22.9 t -78.67 66.7 4.24 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.486 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -139.56 158.55 43.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.761 176.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 9.8 tt0 -83.62 140.32 32.27 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 66' ' ' ARG . 15.9 m95 -83.38 153.2 24.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -173.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.77 -25.48 67.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.756 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -124.83 97.82 37.89 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.84 -14.25 12.59 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.261 1.974 . . . . 0.0 112.186 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.6 m -73.52 1.15 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.953 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -64.08 -22.45 66.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.013 0.435 . . . . 0.0 110.67 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.93 18.43 22.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.096 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.1 p -57.87 -37.33 73.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.289 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -59.35 -37.58 78.21 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.757 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.39 -51.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 60.8 m -61.21 -42.08 97.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.82 -35.93 82.05 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.726 -0.215 . . . . 0.0 110.52 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -66.91 -27.15 67.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.018 0.437 . . . . 0.0 110.062 177.464 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.84 2.91 50.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 68.76 43.75 1.22 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.628 0.727 . . . . 0.0 110.68 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 85.5 m -133.79 159.24 41.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.783 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.37 -159.49 28.02 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.961 -0.637 . . . . 0.0 113.934 -174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 29.5 t70 -56.03 140.54 69.69 Favored Pre-proline 0 N--CA 1.465 0.306 0 C-N-CA 123.248 0.619 . . . . 0.0 112.2 -174.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 18.3 Cg_exo -63.83 109.18 1.03 Allowed 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.386 2.724 . . . . 0.0 112.146 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.23 -32.25 70.04 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.62 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.9 m -148.24 143.31 26.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.245 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' A' ' 70' ' ' GLN . 6.0 tt -152.22 117.35 5.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.53 -173.6 37.94 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.509 -0.853 . . . . 0.0 111.84 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 76.5 Cg_exo -52.64 122.2 10.49 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.945 2.43 . . . . 0.0 112.419 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 89.4 t80 -135.82 99.08 4.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.608 -177.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 82.8 mt 64.58 -175.95 0.17 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.21 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -131.73 46.59 2.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.396 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.759 ' HB ' HE22 ' A' ' 47' ' ' GLN . 1.5 m -83.7 6.84 19.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.205 0.526 . . . . 0.0 110.162 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 31.1 p90 -53.66 129.16 32.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.306 -179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 103' ' ' SER . 24.3 m -82.14 111.0 23.89 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 170.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.25 -24.07 57.52 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.974 2.45 . . . . 0.0 113.225 -172.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.36 -19.19 28.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.731 0.3 . . . . 0.0 111.045 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.434 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 13.0 m -109.75 -6.1 15.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.671 -173.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 5.4 p -97.52 143.06 28.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.008 0.432 . . . . 0.0 110.804 -177.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 pt -122.58 155.87 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 0.0 111.433 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 121' ' ' ARG . 49.9 mt -116.49 118.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.388 172.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 7.5 t -105.71 157.43 17.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -124.19 155.66 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.974 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 119.81 -140.52 14.79 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.82 145.74 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.16 108.13 0.34 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.79 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 28' ' ' TRP . . . 103.33 -3.24 47.03 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.925 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.2 t -102.2 113.1 26.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.958 0.409 . . . . 0.0 110.22 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.7 m-85 -92.68 49.66 1.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.176 0.513 . . . . 0.0 110.143 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -77.01 -30.67 55.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -148.84 97.21 2.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.888 0.375 . . . . 0.0 110.187 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.2 m -123.23 156.94 34.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.1 m -143.58 174.89 10.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.08 145.63 45.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.0 t -52.64 115.49 1.82 Allowed 'General case' 0 C--O 1.231 0.121 0 O-C-N 123.321 0.388 . . . . 0.0 110.401 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.502 ' H ' HD12 ' A' ' 106' ' ' ILE . 9.3 tpt180 -86.96 -5.58 59.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.249 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.57 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 10.0 t-20 -123.4 151.43 42.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -70.52 -51.12 31.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.57 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 23.3 ptp -78.82 130.83 36.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.283 0.563 . . . . 0.0 110.067 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.1 t -152.64 139.32 18.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.216 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -110.04 124.8 52.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.3 m -63.05 140.61 58.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.415 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tt -75.57 104.7 6.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -89.83 136.71 13.66 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.18 -178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 37' ' ' LEU . 56.5 tp -131.16 121.52 25.03 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 59.0 m -113.27 100.51 8.62 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.749 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.5 m -90.04 154.38 19.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.7 tt -75.16 81.03 2.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.83 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 10.0 pt-20 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.653 -0.689 . . . . 0.0 110.734 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.03 120.65 22.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.098 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 29' ' ' TYR . 36.3 p -133.33 155.0 50.24 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.38 24.48 0.11 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.129 0.49 . . . . 0.0 111.958 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.5 m-85 -123.59 8.15 8.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.632 174.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -93.41 128.5 42.27 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.5 -13.79 41.61 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.602 2.202 . . . . 0.0 112.696 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -97.91 3.66 49.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.903 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -75.98 129.37 36.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.211 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -112.22 135.97 52.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.358 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.16 160.72 43.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.511 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -154.88 162.53 41.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.903 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 44' ' ' CYS . 95.4 mt -110.78 146.3 36.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 60.2 p -63.38 158.42 20.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.963 0.411 . . . . 0.0 111.252 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -75.12 55.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.9 m -80.39 -77.04 0.2 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.733 -177.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.13 -17.04 3.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.746 0.308 . . . . 0.0 111.271 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.653 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 28.8 t -165.77 158.98 15.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -176.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -67.73 -16.85 64.34 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.436 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.2 m -118.13 31.93 6.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.419 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.653 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 7.8 tt0 -159.58 102.39 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.147 0.499 . . . . 0.0 110.508 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -157.77 30.12 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.821 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.456 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 85.5 mt-30 -82.78 140.97 32.69 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 54.1 tp -82.53 119.21 23.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.093 0.473 . . . . 0.0 111.177 -177.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 50.3 mt-10 -115.82 126.84 54.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.375 173.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 ' CZ ' ' A' ' 114' ' ' PHE . 35.4 m -115.85 150.28 17.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.97 0.414 . . . . 0.0 110.606 -178.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -93.19 104.45 16.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 105' ' ' ILE . 79.3 mt -92.84 -177.59 4.57 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -68.4 -17.29 64.19 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.888 0.375 . . . . 0.0 111.094 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.33 -15.66 27.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.704 0.288 . . . . 0.0 111.203 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.02 -157.94 23.09 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -79.46 135.02 36.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.852 0.358 . . . . 0.0 110.705 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.54 136.58 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.149 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.617 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 70.8 mtp -77.04 151.21 35.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.6 132.21 44.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 0.0 110.365 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.9 135.54 36.29 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.5 m -62.33 -13.53 29.81 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -174.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -80.09 -3.3 48.11 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.989 0.423 . . . . 0.0 111.068 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -67.5 153.98 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 111.396 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 56.02 27.18 10.92 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.21 175.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.62 42.37 98.8 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.817 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -108.23 145.29 34.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.856 0.36 . . . . 0.0 110.256 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 p -83.8 163.05 20.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.816 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -79.01 53.55 1.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.261 0.553 . . . . 0.0 110.198 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -142.34 156.9 45.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.903 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.97 108.21 12.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.61 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 11.6 p90 -69.73 159.14 34.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.07 0.462 . . . . 0.0 110.904 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -67.14 -16.03 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -165.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -135.31 94.02 16.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.203 -176.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.945 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.7 Cg_exo -81.09 -4.94 12.8 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.369 2.713 . . . . 0.0 112.444 175.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.1 m -55.17 -24.91 29.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.812 HE21 ' HA ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -62.29 -16.39 53.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.13 11.36 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.556 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -57.47 -35.03 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.822 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -68.3 -28.37 67.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.59 -48.37 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 m -58.15 -40.35 81.16 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.43 -48.54 76.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.692 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -75.81 -14.27 60.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 11.91 24.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.159 0.504 . . . . 0.0 110.105 173.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.4 t30 64.98 51.82 1.65 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.679 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.483 ' SG ' ' HE3' ' A' ' 43' ' ' LYS . 95.4 m -143.09 177.94 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.335 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -102.73 -115.71 4.08 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.161 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.9 m-20 -81.95 152.17 68.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.433 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.2 Cg_endo -88.99 121.5 1.2 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.804 3.002 . . . . 0.0 111.942 177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD21 HD11 ' A' ' 133' ' ' LEU . 93.5 mt -78.46 -42.35 30.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.397 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.2 m -148.15 143.55 27.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.028 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.945 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 0.7 OUTLIER -143.12 124.55 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.71 -128.96 1.85 Allowed Glycine 0 C--O 1.226 -0.38 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.612 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.05 139.8 3.78 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.582 2.188 . . . . 0.0 112.46 175.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 58.1 t80 -133.66 105.82 7.05 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.5 mt 68.28 164.18 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.68 0.752 . . . . 0.0 111.412 -177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -125.11 71.65 1.2 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.244 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -78.5 -22.75 46.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.535 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.515 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 97.7 m-85 57.59 67.31 0.99 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.402 -176.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.8 p -118.26 65.61 5.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.645 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 8.3 Cg_exo -71.37 -26.64 20.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.989 2.459 . . . . 0.0 112.429 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.83 -14.55 58.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.065 0.46 . . . . 0.0 110.638 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -102.45 -7.88 21.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.133 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.4 p -116.89 168.53 10.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.248 0.547 . . . . 0.0 111.406 -175.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.614 HD13 HD11 ' A' ' 52' ' ' LEU . 24.9 pt -127.77 147.92 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.078 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.0 mt -105.27 108.52 25.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.01 155.61 18.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.061 0.457 . . . . 0.0 110.971 -173.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -125.02 -179.55 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.157 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.92 -130.74 10.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.878 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -110.82 148.47 32.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.66 107.82 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.915 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.76 22.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.546 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 t -100.22 114.45 27.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.168 0.509 . . . . 0.0 110.334 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 91.3 m-85 -101.8 42.76 1.11 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.791 0.805 . . . . 0.0 109.0 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.3 m -103.92 14.99 29.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 -174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -170.98 79.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.183 0.516 . . . . 0.0 109.765 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.711 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.0 m -122.49 151.87 40.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.422 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.1 m -115.03 131.56 56.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.913 0.387 . . . . 0.0 111.231 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -71.78 111.78 7.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 101' ' ' PRO . 32.5 t -68.18 111.15 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.44 0.638 . . . . 0.0 110.998 -173.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -96.54 15.27 22.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.95 176.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.437 ' OD1' ' HG2' ' A' ' 124' ' ' MET . 7.6 t-20 -100.69 179.11 4.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.258 -173.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -115.66 49.93 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.683 0.754 . . . . 0.0 110.154 -177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 122' ' ' ASN . 24.9 ptt? -164.33 137.36 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.028 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 26.6 t 178.18 143.09 0.1 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.262 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -112.96 123.77 51.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 173.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 p -65.36 126.87 29.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.149 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.515 HD21 HD21 ' A' ' 92' ' ' LEU . 8.9 tt -74.76 131.25 40.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -118.64 147.34 18.5 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.803 -176.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.732 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.4 tp -132.87 135.08 45.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.8 m -124.91 120.09 30.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.095 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.814 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 14.2 m -118.86 146.4 44.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.008 -177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 90' ' ' LEU . 50.3 mt -78.46 147.93 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.127 178.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 134' ' ' GLU . 5.1 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.626 170.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 mtm-85 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 52' ' ' LEU . 94.6 mt -94.44 111.81 23.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.944 0.402 . . . . 0.0 110.177 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -120.08 155.01 33.81 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.3 10.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -106.75 -6.1 18.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.583 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 12.6 m-20 -78.1 134.64 63.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 19.9 Cg_exo -67.04 -23.16 46.75 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.081 2.52 . . . . 0.0 112.078 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -101.54 14.96 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.952 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -72.51 108.53 5.63 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 24.2 mt-30 -97.99 117.84 33.23 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.62 -175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.16 155.54 42.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.838 HH11 HH21 ' A' ' 39' ' ' ARG . 10.4 ptp180 -150.15 152.62 34.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.963 0.411 . . . . 0.0 110.438 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.6 mt -97.26 139.92 32.52 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 171.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.2 p -57.83 140.42 51.83 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.342 0.401 . . . . 0.0 110.796 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.838 HH21 HH11 ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.64 63.07 4.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.108 -175.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.2 t -61.62 -74.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -138.62 -54.61 0.61 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.488 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.4 m -91.82 124.85 36.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.034 -0.985 . . . . 0.0 108.466 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -69.14 -15.19 63.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.904 0.383 . . . . 0.0 111.053 -174.123 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.765 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 0.5 OUTLIER -109.53 28.72 8.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 8.4 tt0 -154.55 97.46 2.0 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.103 174.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.36 -167.71 34.2 Favored Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -73.58 143.62 46.35 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.2 tp -89.67 116.04 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.97 0.414 . . . . 0.0 111.396 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.44 127.34 56.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.259 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.24 151.33 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.711 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 80.7 t80 -94.67 105.33 17.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.913 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 4.7 mp -93.41 -179.38 5.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -62.63 -32.47 73.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.412 0.625 . . . . 0.0 109.637 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.34 -38.61 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.283 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 148.63 -164.15 29.07 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.292 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.85 128.59 35.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.76 0.28 . . . . 0.0 110.665 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -143.52 152.81 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.486 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 80.2 mtp -87.71 130.87 34.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.668 -176.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.6 t -87.95 129.89 38.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.89 0.376 . . . . 0.0 110.01 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -98.15 146.2 25.82 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 p -73.01 -16.01 61.52 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 53.3 tp60 -83.38 53.94 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.3 t -118.32 149.88 40.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.535 -173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 58.69 21.63 9.04 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.214 0.606 . . . . 0.0 112.358 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.47 -7.74 71.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.807 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 10.5 mmt180 -78.51 151.06 32.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.268 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -95.13 161.41 14.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.71 -178.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m -75.01 57.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.233 0.54 . . . . 0.0 111.25 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -134.63 160.61 37.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.79 92.78 7.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 0.0 109.763 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.487 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 31.9 p90 -70.37 155.71 40.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.302 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -85.69 36.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.544 -172.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 18.3 m-20 -136.54 62.41 42.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 120.735 0.303 . . . . 0.0 110.996 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.533 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 1.2 Cg_endo -83.94 -23.44 3.12 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.722 2.281 . . . . 0.0 112.695 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 4.0 m -59.24 -20.53 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -173.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -70.08 -15.33 62.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.694 0.283 . . . . 0.0 111.321 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.94 12.2 37.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.353 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 p -57.39 -31.03 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.901 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 7.5 mmpt? -62.08 -42.66 99.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.082 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.58 -43.7 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 47.7 m -59.01 -41.98 89.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.251 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -67.5 -33.96 76.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 45.4 mmt-85 -60.93 -30.64 70.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.133 0.492 . . . . 0.0 110.246 176.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.25 11.8 29.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.254 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 62.49 41.02 10.2 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.3 0.572 . . . . 0.0 111.04 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.7 m -113.95 170.73 8.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.298 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.16 -133.77 5.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.265 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.67 152.27 96.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.398 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 1.5 Cg_endo -80.24 117.79 3.54 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.12 2.546 . . . . 0.0 111.427 173.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.71 -47.62 16.54 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.611 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.1 m -138.08 143.33 40.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.539 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -143.32 108.76 5.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.45 -132.9 1.94 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.08 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.61 141.03 8.55 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.361 2.04 . . . . 0.0 112.181 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.073 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 53.5 t80 -120.12 83.92 2.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt 63.18 -167.78 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.414 176.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -112.86 115.5 28.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.08 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.2 m -96.94 -45.52 6.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.433 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 55.13 84.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.484 0.49 . . . . 0.0 111.076 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.9 m -153.06 78.28 5.97 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -74.17 33.41 0.35 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.046 2.497 . . . . 0.0 112.904 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -111.17 -37.35 5.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.161 176.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 m -117.03 -15.55 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.067 -172.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 14.5 p -73.12 134.39 44.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.35 . . . . 0.0 111.741 -175.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.4 pt -135.31 160.8 40.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 121.156 0.503 . . . . 0.0 111.103 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.9 mt -125.78 131.47 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 108.897 174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.5 t -108.21 155.24 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.979 -173.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.03 172.5 10.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.689 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.1 -83.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.327 -0.939 . . . . 0.0 113.171 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -154.85 140.41 17.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.589 0.233 . . . . 0.0 110.538 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.97 108.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.257 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.5 -9.63 24.1 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.64 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 t -107.71 109.88 21.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.138 0.494 . . . . 0.0 110.39 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -93.15 48.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.2 p -85.53 -31.2 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.672 -176.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.4 93.77 2.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.115 0.483 . . . . 0.0 110.447 -177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 3.6 m -119.14 144.28 46.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.668 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.8 m -125.97 151.94 46.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.215 0.531 . . . . 0.0 111.022 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -89.08 100.37 13.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.539 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 t -81.01 109.42 15.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 172.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -80.41 65.92 5.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.414 0.626 . . . . 0.0 110.14 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -156.58 137.58 13.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.333 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.81 39.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -173.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.0 ptp -92.73 2.4 56.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.417 0.627 . . . . 0.0 109.409 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.0 t -109.28 146.15 34.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.998 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -101.01 134.77 43.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.187 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -57.68 141.8 47.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.73 -178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.6 tt -75.06 125.55 29.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.843 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 1.073 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.33 129.13 7.91 Favored Glycine 0 N--CA 1.441 -1.003 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.645 HD13 ' HG ' ' A' ' 92' ' ' LEU . 43.5 tp -110.64 130.56 55.54 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.3 m -116.29 108.27 15.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.065 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.765 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.1 m -114.77 155.11 27.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.439 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.59 90.78 0.57 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.218 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 6.0 pt-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.253 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.977 0.417 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.19 146.74 33.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.423 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 m -149.65 155.32 40.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.52 23.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.299 0.571 . . . . 0.0 110.469 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.462 ' HA ' ' HG3' ' A' ' 79' ' ' LYS . 2.4 t80 -103.78 -19.43 14.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.67 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.8 135.19 43.13 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.046 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.93 -20.81 33.54 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.865 2.376 . . . . 0.0 112.373 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -92.66 4.58 53.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.456 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.83 112.87 20.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.6 mm-40 -77.66 110.14 12.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.16 0.505 . . . . 0.0 111.193 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.42 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.327 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -153.8 160.03 42.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.408 . . . . 0.0 110.483 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.629 ' H ' HD21 ' A' ' 84' ' ' LEU . 96.4 mt -100.06 133.56 44.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 168.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.2 p -70.13 165.92 20.99 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 39' ' ' ARG . 37.1 mtp180 -62.38 -74.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.15 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 t 60.39 -82.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.524 0.515 . . . . 0.0 111.562 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -128.97 -50.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.384 0.611 . . . . 0.0 109.565 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -135.51 139.5 44.04 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -178.038 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.635 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.8 -15.99 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.123 -174.223 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.732 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 60.7 m -104.86 18.64 21.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 0.0 110.083 173.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.56 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 6.9 tt0 -156.46 81.54 0.97 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.73 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.83 -155.93 7.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.012 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.418 HE21 ' HD2' ' A' ' 95' ' ' PHE . 10.7 mp0 -91.3 138.65 31.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 tp -81.89 114.33 20.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -107.58 134.28 50.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.1 m -127.89 152.86 36.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.5 t80 -91.86 114.36 26.87 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.204 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.1 mt -117.16 -160.18 0.76 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.49 -30.93 70.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.501 0.191 . . . . 0.0 111.4 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p30 -98.97 11.72 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.64 -159.4 15.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.759 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.424 ' CZ2' ' HB3' ' A' ' 34' ' ' GLN . 85.7 m95 -83.43 117.36 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.605 0.238 . . . . 0.0 110.627 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -140.43 153.72 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.139 0.495 . . . . 0.0 111.466 -178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.449 ' O ' ' HA ' ' A' ' 104' ' ' SER . 70.5 mtp -76.46 131.25 38.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.191 -175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.7 t -80.77 133.64 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB3' HG12 ' A' ' 106' ' ' ILE . 8.4 t -93.14 141.91 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.1 p -74.05 -1.67 21.05 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -174.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -89.9 15.58 9.66 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.692 0.758 . . . . 0.0 110.355 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -75.9 153.57 36.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 61.36 25.37 15.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.677 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.5 24.74 69.6 Favored Glycine 0 C--N 1.331 0.286 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.376 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -91.81 161.09 15.0 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.923 0.392 . . . . 0.0 110.287 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 p -77.09 145.75 37.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.996 175.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.7 m -75.58 55.48 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.697 0.761 . . . . 0.0 110.266 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 8.2 mmpt? -142.65 175.59 9.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HB3' ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -94.45 118.15 31.2 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.96 174.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -83.57 -168.65 2.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.1 -49.6 75.38 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -172.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -115.83 103.33 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.935 0.398 . . . . 0.0 111.069 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -91.02 2.06 4.71 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.795 2.33 . . . . 0.0 112.186 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.589 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 24.6 m -92.47 5.65 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.946 -173.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.03 -8.51 53.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.831 0.348 . . . . 0.0 111.186 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -98.71 24.67 7.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.603 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.6 p -54.9 -42.76 72.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.215 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 29' ' ' TYR . 71.8 mmtt -58.55 -35.07 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.815 -178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.97 -51.37 50.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m -58.45 -41.26 84.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.976 0.417 . . . . 0.0 110.465 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -62.09 -46.5 88.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.339 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -73.49 -12.12 60.68 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.9 mp -98.87 6.44 46.81 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 174.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 63.29 36.61 11.64 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.21 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -109.19 164.23 12.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.9 -170.47 40.77 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.595 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 m-20 -57.17 148.4 52.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 122.935 0.494 . . . . 0.0 111.509 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.589 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 9.1 Cg_exo -71.38 113.19 3.53 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.049 2.499 . . . . 0.0 112.171 178.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 133' ' ' LEU . 2.5 tt -85.61 -39.2 17.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.862 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 43.4 m -143.87 157.71 44.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -175.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 130' ' ' LEU . 22.3 tp -153.87 172.29 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 92' ' ' LEU . . . 117.21 -128.75 8.01 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.29 -0.957 . . . . 0.0 112.457 174.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -85.8 132.5 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.625 2.216 . . . . 0.0 112.66 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.921 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 37.4 t80 -127.18 100.76 6.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 90.2 mt 75.09 165.57 0.28 Allowed 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.997 0.811 . . . . 0.0 111.239 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' HG2' ' HD1' ' A' ' 99' ' ' TYR . 40.0 ttmt -103.28 81.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -57.98 -58.56 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.663 -171.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.573 ' HA ' ' O ' ' A' ' 123' ' ' ASP . 5.3 m-85 52.75 52.86 13.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.272 0.558 . . . . 0.0 110.679 -173.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -143.06 87.99 8.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.16 -31.21 30.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.52 2.147 . . . . 0.0 112.426 -178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.495 ' HA ' ' CE1' ' A' ' 119' ' ' HIS . 50.4 tp60 -82.53 40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.53 0.681 . . . . 0.0 110.718 -175.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.6 m -162.61 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.067 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 58' ' ' MET . 12.1 p -99.3 150.02 22.54 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.299 0.571 . . . . 0.0 111.707 -174.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 pt -124.02 147.88 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.263 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.521 HG12 ' HB3' ' A' ' 60' ' ' CYS . 70.7 mt -118.06 120.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.929 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.9 m -95.23 152.69 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.743 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -129.47 160.34 33.48 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.378 176.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.81 -143.53 16.37 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.694 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.72 148.56 22.5 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -52.87 113.41 1.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.565 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.28 -10.78 47.31 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.467 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.7 t -89.77 107.63 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.0 110.423 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -94.14 35.2 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.906 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 m -80.59 -35.05 34.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.236 -175.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -126.59 100.15 6.1 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.634 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 38.8 m -124.18 136.3 54.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.0 m -114.53 145.69 41.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.009 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 102' ' ' GLN . 53.0 t-80 -72.16 126.62 30.26 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -67.49 128.78 37.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.034 0.445 . . . . 0.0 110.94 -173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 6.8 tpt180 -106.39 6.44 30.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.715 0.769 . . . . 0.0 109.453 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -112.71 131.51 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.459 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 1.2 p30 -69.1 -28.97 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.818 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -75.72 73.59 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.305 0.574 . . . . 0.0 110.597 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.03 127.3 30.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.32 121.67 43.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.236 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.1 m -59.48 142.75 51.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.619 HD21 HD11 ' A' ' 92' ' ' LEU . 9.2 tt -73.96 120.09 19.07 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.591 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.921 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.71 149.79 16.79 Favored Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.794 -179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 92' ' ' LEU . 59.4 tp -133.16 121.7 22.95 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.423 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 27.2 m -108.02 96.61 6.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.989 0.423 . . . . 0.0 110.494 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 4.9 m -94.07 146.53 23.89 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 90' ' ' LEU . 85.6 mt -61.06 98.31 0.07 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 28.7 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.931 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.848 0.356 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -106.81 82.21 1.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 29' ' ' TYR . 42.8 m -148.56 159.03 44.47 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 25.46 0.1 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.529 0.681 . . . . 0.0 110.646 177.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' H ' ' C ' ' A' ' 27' ' ' SER . 85.5 t80 -113.66 -12.39 12.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.076 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.38 137.87 23.28 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.128 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.59 -13.75 35.58 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.044 2.496 . . . . 0.0 113.436 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -104.18 10.42 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 111.249 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -92.19 138.14 31.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.777 0.322 . . . . 0.0 110.162 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 7.1 mm100 -118.04 136.03 53.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 111.638 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 154.48 42.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.828 176.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -151.02 160.28 44.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.845 0.355 . . . . 0.0 110.641 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 44' ' ' CYS . 91.1 mt -109.67 144.45 38.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 p -72.14 159.72 33.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.136 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.79 -56.95 12.95 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.13 0.269 . . . . 0.0 110.67 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t 50.4 -94.74 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.081 0.863 . . . . 0.0 112.206 172.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -125.64 -47.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.793 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 14.5 m -126.7 147.5 49.94 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.699 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -72.53 -10.36 59.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.595 -177.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 93.9 m -113.01 29.23 8.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.4 168.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 52.2 tt0 -153.52 88.91 1.3 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.246 0.546 . . . . 0.0 110.043 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.44 -162.22 21.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.974 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -80.71 141.53 34.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.5 tp -85.47 117.12 24.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.671 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -111.07 131.86 54.73 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.75 153.73 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -97.07 109.07 21.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.616 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.9 mt -114.21 -172.42 2.09 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.55 -32.96 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 111.17 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.61 -9.46 58.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.498 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.51 -170.65 18.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.581 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 34' ' ' GLN . 96.9 m95 -68.01 125.97 28.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 111.061 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -142.13 150.87 41.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.4 mtp -79.84 142.45 35.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.94 137.36 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 175.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.85 141.8 28.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.733 ' HA ' HD12 ' A' ' 128' ' ' LEU . 15.8 p -65.01 -23.18 67.13 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -170.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.23 54.92 2.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.327 0.584 . . . . 0.0 110.037 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.6 m -112.53 158.45 19.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.769 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 65.94 -80.38 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.152 0.908 . . . . 0.0 111.777 175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.02 39.75 0.38 Allowed Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.595 HH22 HD22 ' A' ' 111' ' ' LEU . 23.4 mmt85 -125.13 158.8 32.99 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -174.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.6 m -129.31 -152.23 0.51 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 t -83.65 -12.53 55.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 110.694 -177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.859 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 10.7 mmpt? -81.69 131.85 35.28 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -70.25 118.06 12.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.75 ' HZ2' HD22 ' A' ' 92' ' ' LEU . 16.4 p90 -73.45 169.15 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -60.27 -55.94 27.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.486 -170.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -121.13 103.31 42.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.727 -175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -87.33 2.17 6.9 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.658 2.905 . . . . 0.0 112.254 176.623 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.839 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 m -73.09 -4.64 33.89 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -170.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -68.95 -12.31 61.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.167 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.49 12.75 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 p -57.64 -33.7 68.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.324 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -60.89 -40.11 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.438 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.53 -47.52 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.8 m -61.45 -40.02 92.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.669 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -69.21 -30.23 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.802 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.614 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 2.4 mmp_? -68.83 -22.7 64.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.748 175.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.09 9.17 42.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.383 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 61.08 36.81 18.2 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.063 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.0 m -115.84 168.73 9.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.883 173.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.34 -150.86 10.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.53 -174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.42 156.86 59.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.839 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 3.8 Cg_exo -76.81 114.19 3.79 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.945 2.43 . . . . 0.0 111.506 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.24 -40.95 67.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.65 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -155.42 152.06 28.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.909 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.75 HD22 ' HZ2' ' A' ' 71' ' ' TRP . 1.2 tt -148.9 126.46 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.81 -157.48 29.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.102 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.03 120.63 7.81 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.569 2.179 . . . . 0.0 111.965 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CB ' ' HA3' ' A' ' 129' ' ' GLY . 44.4 t80 -134.58 118.66 17.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 62.9 mt 71.12 124.13 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.796 0.808 . . . . 0.0 111.5 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.0 mttt -86.38 65.22 8.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.229 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -74.28 -43.76 55.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 38.1 m-85 53.04 66.43 1.23 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.36 0.6 . . . . 0.0 111.697 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -123.5 80.32 54.2 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.165 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.56 ' HB2' ' O ' ' A' ' 120' ' ' SER . 50.1 Cg_endo -68.26 -10.98 30.61 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.99 2.46 . . . . 0.0 113.413 -171.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -79.1 -16.64 56.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.428 0.632 . . . . 0.0 109.73 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.2 m -111.08 -32.61 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.993 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.8 p -91.78 120.69 32.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.562 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.7 pt -105.5 149.72 8.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -108.41 123.02 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.9 m -99.66 144.58 28.57 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.816 -178.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -115.25 146.25 41.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.94 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.73 -153.02 16.89 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.652 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -74.42 147.02 42.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.595 HD22 HH22 ' A' ' 66' ' ' ARG . 47.5 tp -54.27 109.2 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.118 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.38 -13.32 25.75 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.242 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.3 m -88.51 119.24 28.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 111.003 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -106.65 25.83 10.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.338 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 p -64.69 -40.77 95.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.582 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -127.79 93.41 3.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.236 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 32.8 m -114.4 139.08 49.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.345 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -114.23 145.42 41.74 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.358 -176.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -80.43 122.11 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' A' ' 101' ' ' PRO . 46.6 t -69.39 128.72 37.54 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -107.32 32.82 4.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.91 0.862 . . . . 0.0 109.08 173.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -134.22 135.16 42.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.274 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -85.04 17.15 3.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.768 0.318 . . . . 0.0 111.708 -172.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 83.8 mtp -106.49 22.92 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.316 0.579 . . . . 0.0 110.3 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.73 106.04 15.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.563 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 37.0 m-70 -77.87 127.02 31.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.898 -177.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 m -58.46 135.93 57.38 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.239 0.337 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.9 tt -89.25 124.09 34.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.957 0.408 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -113.79 143.04 17.8 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.731 HD13 ' HG ' ' A' ' 92' ' ' LEU . 65.0 tp -127.63 118.65 24.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 69.3 m -105.87 110.09 22.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.266 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 29.7 m -99.67 153.06 19.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.45 93.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.084 0.469 . . . . 0.0 109.846 176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.536 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 33.3 tt0 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.072 -176.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.724 ' HA ' ' OG ' ' A' ' 115' ' ' SER . 3.4 ppt_? . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 120.928 0.394 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.4 mt -130.39 93.51 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.982 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 29' ' ' TYR . 5.1 m -84.95 135.8 33.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.81 -177.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 23.59 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.153 0.501 . . . . 0.0 111.69 179.132 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 27' ' ' SER . 83.0 m-85 -108.88 -17.46 13.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 174.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 11.6 m-20 -66.92 138.64 95.24 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 -178.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 24.2 Cg_exo -62.09 -25.01 77.03 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.331 2.687 . . . . 0.0 112.786 -176.224 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -90.66 -3.57 57.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.355 -177.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -74.04 136.42 43.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 58.8 mt-30 -113.55 120.44 40.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -174.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -145.59 157.91 43.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -149.6 167.47 26.26 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 177.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.1 mt -113.07 133.4 55.01 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.1 p -63.25 152.65 37.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.147 -177.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.908 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -71.74 70.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.511 0.672 . . . . 0.0 110.962 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -84.65 -22.58 29.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.58 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -174.93 -36.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 109.43 -178.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.672 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 35.8 t -153.47 159.06 42.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.546 177.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -79.92 16.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.841 0.353 . . . . 0.0 110.686 -178.594 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 15.2 t -129.67 6.44 5.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.445 0.64 . . . . 0.0 109.839 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.672 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 3.7 pt20 -153.78 118.29 4.92 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.458 178.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 167.09 -154.93 25.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.373 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -83.14 140.49 32.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.4 tp -81.81 118.63 23.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.889 0.376 . . . . 0.0 111.058 -178.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -113.97 133.11 55.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.625 172.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -116.97 148.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.012 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.429 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 60.7 t80 -88.18 106.07 17.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 -178.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.1 mt -89.21 174.0 8.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.861 -1.162 . . . . 0.0 107.861 169.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -53.71 -36.12 61.88 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.199 0.454 . . . . 0.0 111.272 -176.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.42 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 8.5 m-20 -65.9 -62.32 1.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.551 176.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.49 -160.17 27.56 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.045 -177.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.441 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -74.38 123.83 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.037 0.446 . . . . 0.0 110.752 -177.017 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.42 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.9 m80 -125.33 140.46 52.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.646 -178.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.459 ' HB3' ' HE2' ' A' ' 58' ' ' MET . 74.3 mtp -79.68 133.15 36.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.551 -178.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.3 t -85.87 127.89 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.932 0.396 . . . . 0.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.8 140.4 29.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.0 t -72.33 1.17 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -173.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -97.91 38.13 1.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 109.648 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.9 m -107.69 149.5 28.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.526 -176.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 58.3 -106.36 0.3 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.521 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.6 17.2 13.88 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 178.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.711 ' HD3' ' HD1' ' A' ' 71' ' ' TRP . 20.9 mmt180 -99.8 152.42 20.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.039 0.447 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.7 t -136.3 -159.05 0.92 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 -178.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.2 m -80.07 39.66 0.45 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.443 0.639 . . . . 0.0 110.81 178.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -153.95 150.61 28.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.355 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -91.07 134.96 34.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.237 -179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.711 ' HD1' ' HD3' ' A' ' 66' ' ' ARG . 94.2 m95 -94.87 175.52 6.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.944 0.402 . . . . 0.0 110.532 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -76.65 6.0 6.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -119.76 77.52 21.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.088 0.47 . . . . 0.0 111.454 -179.194 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -87.42 -24.43 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.163 1.909 . . . . 0.0 113.521 -177.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.932 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.2 m -81.96 13.52 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -72.03 -15.96 62.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 111.276 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -100.28 22.81 10.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.849 0.357 . . . . 0.0 110.959 -178.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.702 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 11.7 p -56.11 -47.13 78.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.82 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -60.73 -32.7 71.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.095 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.6 t -65.14 -48.03 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.315 177.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -63.39 -40.53 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.522 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -62.94 -38.32 90.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.996 0.427 . . . . 0.0 110.273 177.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -30.75 71.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.628 178.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.87 6.93 39.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.418 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 64.7 33.92 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.17 0.509 . . . . 0.0 111.612 -178.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.39 -171.05 1.88 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 173.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.79 -144.45 13.46 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.48 173.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -87.82 154.32 52.84 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-O 120.809 0.338 . . . . 0.0 110.461 178.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.932 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 71.2 Cg_endo -77.24 135.56 15.24 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.091 2.527 . . . . 0.0 113.37 -175.166 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.39 -44.46 10.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.097 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.3 t -144.92 149.36 35.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.439 -176.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 130' ' ' LEU . 64.2 tp -153.46 108.72 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.069 -179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.1 -155.1 16.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.226 -178.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.24 67.39 5.23 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.21 2.607 . . . . 0.0 111.741 178.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.896 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 87.2 t80 -71.88 -40.75 68.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.933 -173.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 21.4 tp -145.14 171.54 14.37 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.689 -175.333 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 43.3 mtmt -132.65 99.26 4.57 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 m -78.05 -19.04 55.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.477 0.656 . . . . 0.0 109.887 176.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.413 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 0.2 OUTLIER 60.98 34.37 19.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.305 172.283 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.7 m -104.66 99.79 20.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.085 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 98.2 Cg_endo -87.48 55.22 2.82 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.905 2.403 . . . . 0.0 112.564 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -137.69 -73.15 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.701 179.725 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 t -88.16 12.07 14.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.004 0.43 . . . . 0.0 110.849 -178.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.0 p -90.87 143.17 26.99 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.8 pt -125.33 140.67 47.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.554 0.692 . . . . 0.0 111.652 -177.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 120' ' ' SER . 49.8 mt -107.23 115.78 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 170.46 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.8 t -105.47 149.5 26.13 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.397 -174.341 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -117.44 162.8 17.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.179 -177.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.93 -153.53 17.48 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.328 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.32 139.35 31.06 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -178.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -52.6 111.37 0.64 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.018 -177.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.48 -14.29 18.02 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.209 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -98.37 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.326 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -87.18 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.321 0.582 . . . . 0.0 110.315 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.724 ' OG ' ' HA ' ' A' ' 25' ' ' ARG . 21.0 m -82.64 -68.89 0.67 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.869 -178.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -106.21 96.62 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.647 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 7.8 m -116.48 133.33 56.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.989 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 m -112.57 139.94 47.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.59 0.233 . . . . 0.0 110.93 -176.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -61.3 133.37 55.8 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB2' HG13 ' A' ' 106' ' ' ILE . 39.3 t -87.93 117.75 27.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.296 0.569 . . . . 0.0 111.214 -175.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -90.75 -4.87 56.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.487 173.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.49 122.11 21.65 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.512 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.29 -34.98 73.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.587 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.7 mtt -87.77 40.7 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.731 -176.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 t -76.74 111.68 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -74.15 119.24 18.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -76.16 134.6 39.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -174.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.76 115.8 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.018 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.896 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -106.88 129.99 9.96 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.015 -178.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -118.53 132.06 56.22 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.9 m -119.57 110.72 17.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 27.5 m -103.5 149.23 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.732 0.301 . . . . 0.0 110.312 -179.399 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.9 136.38 56.79 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 177.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.377 -0.82 . . . . 0.0 109.112 175.056 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 mt -138.48 74.7 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.735 170.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 p -125.09 161.11 27.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.789 -178.134 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.689 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -73.8 15.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.717 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.689 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 5.2 m-85 -119.94 8.83 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.419 174.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 26.3 m-20 -86.31 137.4 34.73 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.233 176.652 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.6 Cg_exo -59.12 -23.87 71.07 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.605 2.87 . . . . 0.0 114.047 -170.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -119.33 22.79 11.61 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.574 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -79.2 113.7 17.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -103.64 139.42 38.95 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.178 0.513 . . . . 0.0 111.119 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -146.21 157.44 43.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.364 177.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -154.86 166.85 32.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 110.064 178.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.8 mt -114.36 119.59 37.47 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.849 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.514 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 12.5 p -59.94 126.81 28.98 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 22.4 mtp180 -44.22 -70.3 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 124.078 0.861 . . . . 0.0 112.48 -167.445 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t 66.66 -60.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.339 0.399 . . . . 0.0 110.817 -179.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -127.49 -49.71 1.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.899 0.381 . . . . 0.0 109.991 176.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -143.96 174.1 11.14 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.727 -177.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -30.82 62.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.681 0.276 . . . . 0.0 111.054 -174.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 84.5 m -107.98 22.12 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.456 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -150.28 93.75 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.243 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . -170.29 -161.11 20.25 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.211 -177.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 69.1 mt-30 -90.65 132.17 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.887 0.375 . . . . 0.0 110.226 -176.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.8 tp -74.53 127.93 34.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.296 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -119.39 134.94 54.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.615 171.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.58 151.62 20.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.138 177.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -92.05 106.33 18.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.025 0.441 . . . . 0.0 110.709 -178.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 105' ' ' ILE . 78.9 mt -96.06 -173.47 2.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.71 177.426 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 37.1 ttmt -58.46 -47.27 84.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.334 . . . . 0.0 110.433 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.465 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 4.4 m-20 -65.9 -33.4 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.902 178.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.61 -160.67 26.11 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.429 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.477 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.3 m95 -65.44 127.98 34.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.465 ' HE1' ' HB2' ' A' ' 54' ' ' ASP . 55.8 m80 -137.83 146.41 43.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.26 178.765 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' HG12 ' A' ' 105' ' ' ILE . 76.7 mtp -80.36 152.97 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.31 -177.313 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -102.15 130.59 51.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.825 0.345 . . . . 0.0 110.403 177.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.16 139.45 33.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.811 ' HB2' ' HD2' ' A' ' 126' ' ' HIS . 6.5 m -70.44 -4.02 20.52 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -174.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -79.84 8.75 6.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.112 0.482 . . . . 0.0 110.177 176.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 106' ' ' ILE . 14.4 t -83.83 153.47 24.03 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.987 -174.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 54.9 33.29 19.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.516 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.52 30.4 68.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.11 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -109.17 172.48 6.82 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.4 p -139.49 -144.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.093 -176.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.471 ' HA ' ' HG2' ' A' ' 94' ' ' PRO . 40.6 m -76.22 -6.78 52.89 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.682 0.277 . . . . 0.0 111.62 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 71.6 mmtt -96.38 134.18 39.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.177 0.513 . . . . 0.0 111.38 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -73.45 145.84 45.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.357 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.662 ' CZ2' HD22 ' A' ' 92' ' ' LEU . 25.4 p90 -87.39 159.78 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 110.282 176.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -73.98 -25.7 60.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.986 -164.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -119.21 94.13 47.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.238 -176.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.6 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 4.7 Cg_exo -76.8 -13.67 17.68 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.927 2.418 . . . . 0.0 112.465 177.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.6 p -72.17 2.62 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.328 -175.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -71.96 -14.08 61.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.076 0.465 . . . . 0.0 110.176 172.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.08 21.11 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.685 -177.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.42 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.9 m -60.66 -32.89 72.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.707 0.289 . . . . 0.0 111.085 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 72.3 mmtt -64.15 -32.4 73.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 177.274 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.97 -51.75 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.0 m -58.94 -36.7 75.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.861 0.362 . . . . 0.0 110.476 178.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.14 -36.33 83.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 178.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 30.1 mmm180 -65.48 -26.75 68.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.515 178.202 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.1 mp -95.19 4.19 53.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.972 178.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 m120 61.66 32.53 18.42 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.582 -178.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 31.6 m -98.83 178.55 4.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.95 -162.28 32.04 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.001 176.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.06 154.6 86.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.606 0.241 . . . . 0.0 110.913 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 4.8 Cg_exo -74.51 117.07 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.653 2.235 . . . . 0.0 111.652 178.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tt -81.5 -43.82 18.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.5 -178.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.443 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 12.2 p -146.04 148.5 32.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.887 -177.116 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.872 ' HG ' HD13 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -147.14 89.4 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -178.654 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.73 -169.59 25.26 Favored Glycine 0 C--O 1.226 -0.399 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.761 -177.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HG2' ' HA ' ' A' ' 68' ' ' SER . 24.5 Cg_exo -64.04 135.46 47.64 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.407 2.071 . . . . 0.0 112.205 179.033 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.603 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 68.5 t80 -127.5 91.9 3.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.802 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.9 mt 62.83 -171.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.156 178.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -133.89 100.59 4.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.041 177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 m -79.06 -13.89 59.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.269 -179.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 74.5 m-85 63.18 58.71 1.38 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.511 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.8 p -117.57 73.63 8.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.834 0.349 . . . . 0.0 111.004 177.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.861 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . 1.8 Cg_endo -81.42 51.51 3.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.438 2.758 . . . . 0.0 112.484 -174.461 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -163.89 -49.97 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 179.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -31.42 72.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.658 177.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' MET . 55.0 p -86.33 142.1 28.74 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.896 -178.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 52' ' ' LEU . 32.6 pt -115.44 155.5 16.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.82 178.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' SER . 80.4 mt -123.15 113.78 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.19 176.547 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 59.7 m -93.26 154.65 17.89 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.0 156.42 38.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -177.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.76 -116.23 5.17 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.588 175.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -89.8 128.56 36.17 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.532 0.333 . . . . 0.0 111.69 -170.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.56 115.13 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.008 178.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.96 -14.74 28.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.6 t -92.01 112.08 23.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.902 0.382 . . . . 0.0 110.25 178.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.472 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 96.8 m-85 -100.4 24.51 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.225 178.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.4 p -80.25 -33.57 37.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -178.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -118.48 83.09 1.95 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.165 0.507 . . . . 0.0 109.831 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.0 m -124.99 143.19 51.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.351 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 t -120.29 152.6 37.56 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.445 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -67.05 141.89 57.36 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.9 t -61.97 97.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.014 0.435 . . . . 0.0 110.905 -176.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -66.65 -31.71 72.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.471 0.653 . . . . 0.0 109.689 177.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -79.47 124.3 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.711 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.861 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 7.0 p-10 -77.23 -15.02 59.66 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 -178.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 87.0 mtp -88.06 57.9 4.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.172 0.51 . . . . 0.0 110.025 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.4 t -91.75 118.28 30.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.811 ' HD2' ' HB2' ' A' ' 61' ' ' SER . 3.1 p-80 -85.4 122.03 28.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.367 170.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.69 147.72 51.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.64 -173.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.426 HD21 ' CD2' ' A' ' 92' ' ' LEU . 9.9 tt -93.72 129.57 40.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.642 -178.371 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.603 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.54 129.77 8.61 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.308 -177.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.872 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.8 tp -113.15 131.27 55.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.22 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.443 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 97.6 m -120.26 109.78 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.848 0.356 . . . . 0.0 110.635 179.025 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 9.0 m -102.3 144.34 30.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.32 101.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.028 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 174.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.817 0.342 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -135.72 119.93 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.621 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 16.9 p -149.76 155.63 40.47 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.516 -177.364 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.26 7.66 4.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.204 0.526 . . . . 0.0 110.55 176.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.621 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 97.2 m-85 -86.93 -15.37 39.12 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.674 175.283 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 21.1 m-20 -79.1 124.44 84.59 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.283 177.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.53 -23.75 74.99 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.993 2.462 . . . . 0.0 113.143 -172.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -112.04 15.81 20.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.217 -178.015 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 66.5 t80 -56.92 128.91 39.22 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.473 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 15.6 mm100 -83.45 99.7 10.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.027 0.441 . . . . 0.0 111.189 -174.479 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.09 150.36 45.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.079 177.485 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HD2' ' OE1' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -145.77 145.84 30.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.419 -179.017 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.7 mt -99.93 131.42 45.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.5 p -62.33 137.05 58.19 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 56.36 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.369 0.604 . . . . 0.0 110.954 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -72.15 -57.0 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.536 179.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -108.34 -35.78 6.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.521 177.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -163.14 -179.83 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.754 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.01 -34.94 73.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.782 -178.126 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.741 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 59.4 m -104.8 29.41 6.27 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.154 179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -153.51 107.75 3.07 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.077 0.465 . . . . 0.0 111.213 179.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.48 -158.36 26.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.636 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -81.47 145.16 30.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 tp -85.37 111.74 20.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -178.094 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 36' ' ' ARG . 49.0 mt-10 -106.8 126.39 52.23 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.89 152.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.204 -179.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 84.4 t80 -89.47 98.04 11.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.1 tp -88.61 -175.75 5.04 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.175 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 10.4 mtmp? -68.59 -19.74 64.47 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.145 -177.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' OD1' HD23 ' A' ' 52' ' ' LEU . 5.1 p-10 -93.59 -7.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.341 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.15 -169.53 15.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.736 178.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -70.24 124.05 23.19 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.978 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -148.11 157.58 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 177.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.9 mtp -83.48 137.95 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.056 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.42 133.02 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 38.1 t -92.84 143.99 25.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.145 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -66.24 -15.1 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.518 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.551 ' HB2' HD11 ' A' ' 106' ' ' ILE . 10.5 mm100 -76.13 -5.25 45.82 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.748 178.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -60.79 150.69 31.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -175.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 64.51 19.21 11.73 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.801 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.64 54.97 16.3 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.377 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.1 mtm180 -128.98 153.62 47.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.9 p -88.5 155.61 19.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.784 175.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.504 ' HB3' ' HB3' ' A' ' 94' ' ' PRO . 18.6 m -78.52 76.28 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.034 0.445 . . . . 0.0 111.345 -176.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -130.58 143.74 50.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.0 121.99 18.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.291 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -78.19 167.49 21.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.409 -174.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -66.89 -46.73 73.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.867 -177.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.51 103.12 16.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.409 -177.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.33 2.92 8.1 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 123.225 2.617 . . . . 0.0 112.394 178.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.58 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 14.9 m -64.37 -13.49 51.01 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -15.72 63.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 0.0 110.064 177.011 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.77 14.66 27.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 p -57.72 -31.14 66.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.351 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.58 -33.55 75.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.334 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -67.13 -47.18 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.076 0.465 . . . . 0.0 109.863 177.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.5 m -62.01 -41.24 97.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.052 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.25 -34.95 79.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 178.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -62.92 -37.35 86.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.926 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 mp -91.6 6.5 45.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.965 178.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 m120 60.09 45.7 11.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.47 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 -172.23 2.05 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.59 -134.18 6.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.514 178.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.89 150.48 69.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.798 0.332 . . . . 0.0 111.146 -179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 56.8 Cg_endo -78.44 101.73 1.49 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.85 2.367 . . . . 0.0 111.487 175.597 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD12 HD21 ' A' ' 133' ' ' LEU . 1.9 tt -66.1 -47.08 75.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.378 -174.566 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.2 m -151.32 142.75 23.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 -176.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.719 HD12 HD13 ' A' ' 130' ' ' LEU . 10.4 tt -134.61 141.8 46.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.058 177.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.51 -139.62 7.0 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.504 ' HB3' ' HB3' ' A' ' 68' ' ' SER . 93.9 Cg_endo -83.17 120.23 2.91 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.481 2.12 . . . . 0.0 112.107 179.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.013 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 20.2 t80 -106.4 82.61 1.76 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.115 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt 65.77 178.99 0.2 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.901 -179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -125.39 93.18 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.861 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.7 p -79.47 -10.89 59.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.737 -175.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.598 ' C ' ' HD3' ' A' ' 101' ' ' PRO . 4.0 m-85 59.47 67.47 0.89 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.568 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -121.5 58.68 8.51 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.385 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.598 ' HD3' ' C ' ' A' ' 99' ' ' TYR . 1.8 Cg_endo -81.01 18.73 1.25 Allowed 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.256 2.637 . . . . 0.0 111.853 -174.149 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -123.77 14.67 9.36 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.853 0.835 . . . . 0.0 108.805 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.0 t -145.85 -30.02 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.634 -179.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 56.9 p -72.02 130.85 41.95 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.946 0.403 . . . . 0.0 111.436 -178.241 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.3 pt -114.54 154.69 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.506 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.551 HD11 ' HB2' ' A' ' 62' ' ' GLN . 8.6 mt -122.21 123.08 68.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.695 177.108 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 55.2 m -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -119.16 145.34 46.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.8 11.99 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.748 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -85.0 146.34 27.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.94 0.4 . . . . 0.0 110.955 -175.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.03 111.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.934 178.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.33 -11.31 26.33 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.354 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.8 t -93.88 116.55 29.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.411 0.624 . . . . 0.0 110.835 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -102.89 22.08 14.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.799 176.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 m -69.73 -20.54 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.518 -174.066 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -148.87 103.13 3.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.963 0.411 . . . . 0.0 110.184 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 35.0 m -123.96 152.55 42.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.378 -177.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.3 m -125.25 144.05 50.65 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.871 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -71.59 130.33 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.8 t -94.65 133.85 37.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -172.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 8.8 tpt180 -108.78 48.12 0.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 173.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 125' ' ' CYS . 6.9 t30 -113.13 112.61 24.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.949 -178.24 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.85 -39.98 87.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.847 -173.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 88.2 mtp -97.41 37.27 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -73.38 106.27 5.12 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.744 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -67.78 118.92 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.453 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 128.69 37.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 tt -76.18 125.25 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -177.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 1.013 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -119.91 139.45 13.91 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.176 -178.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.719 HD13 HD12 ' A' ' 92' ' ' LEU . 53.1 tp -124.03 126.05 45.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.1 m -107.31 104.62 14.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.231 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.741 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 34.0 m -100.13 140.86 33.77 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 90' ' ' LEU . 94.9 mt -67.35 146.34 54.18 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.424 ' HG2' ' SG ' ' A' ' 44' ' ' CYS . 25.6 mt-10 . . . . . 0 C--N 1.316 -0.857 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.193 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -130.35 105.61 8.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 29' ' ' TYR . 48.9 m -120.34 161.55 20.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.117 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.501 ' HD1' ' HD1' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -76.75 21.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.41 0.624 . . . . 0.0 110.759 175.839 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.501 ' HD1' ' HD1' ' A' ' 28' ' ' TRP . 3.1 m-85 -110.81 -11.34 14.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.156 174.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.41 136.33 60.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.28 -179.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.96 -3.86 14.55 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.94 2.427 . . . . 0.0 112.107 -176.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -107.41 4.96 26.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.013 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -77.96 103.73 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 -179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 9.8 mm-40 -91.76 129.45 37.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.494 176.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 149.1 31.79 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 178.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HA ' HD11 ' A' ' 84' ' ' LEU . 35.8 ptt180 -144.28 159.66 42.31 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.201 0.524 . . . . 0.0 110.097 -179.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 130' ' ' LEU . 63.5 mt -97.85 120.66 38.63 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 172.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.5 p -52.98 154.35 2.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 123.806 0.691 . . . . 0.0 111.523 -173.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HD2' ' HD3' ' A' ' 43' ' ' LYS . 16.7 mmm180 -42.61 -64.2 0.65 Allowed 'General case' 0 N--CA 1.464 0.235 0 O-C-N 124.238 0.961 . . . . 0.0 110.545 -177.224 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 t 50.25 -91.91 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.979 0.8 . . . . 0.0 112.231 173.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.99 -42.32 1.39 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.344 0.592 . . . . 0.0 109.409 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.1 t -153.36 141.08 20.01 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 175.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' ' HD2' ' A' ' 39' ' ' ARG . 53.0 mtmt -84.87 12.55 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -169.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 29.3 t -112.07 3.16 17.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.762 0.792 . . . . 0.0 109.192 171.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -155.39 87.15 1.1 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.039 175.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -157.4 -158.51 8.97 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.36 -174.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -79.98 134.52 36.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.123 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 59.0 tp -72.61 107.38 5.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -178.401 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -112.05 121.14 44.16 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.239 178.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.13 148.92 10.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.645 -176.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -97.31 103.57 15.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.177 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 mt -90.2 -179.5 5.66 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 173.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 4.7 ttpm? -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.503 0.668 . . . . 0.0 109.571 177.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -89.37 7.29 36.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.513 -174.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.06 -170.76 13.45 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.324 174.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 98.5 m95 -80.62 129.64 34.64 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 122.327 0.251 . . . . 0.0 110.381 -179.251 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -139.96 141.74 36.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.472 177.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.3 mtm -86.16 136.68 33.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -177.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.1 t -82.84 126.04 40.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.742 0.306 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.6 t -78.7 143.55 36.13 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -60.83 -20.2 61.26 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.078 -176.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -91.18 42.45 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.242 0.544 . . . . 0.0 110.252 -176.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 152.63 20.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 54.68 -137.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.82 26.54 22.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.833 174.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -92.9 110.51 21.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.877 0.37 . . . . 0.0 110.262 -177.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.488 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 18.2 m -70.94 165.12 24.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.004 175.243 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 p -74.51 64.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.383 0.611 . . . . 0.0 111.768 -177.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 70' ' ' GLN . 40.7 ttmt -158.11 165.15 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.697 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 69' ' ' LYS . 9.8 tt0 -78.5 139.35 38.68 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 175.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.488 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 72.2 m95 -110.3 155.5 22.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.252 -178.045 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -83.34 40.51 0.72 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -169.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -162.74 74.05 2.07 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.968 0.413 . . . . 0.0 110.206 174.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.82 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.1 Cg_endo -83.81 -9.96 9.66 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.79 2.327 . . . . 0.0 111.71 176.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 1.017 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 43.4 m -72.28 -5.64 37.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.743 -175.447 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -72.44 -13.78 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 111.078 175.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.24 26.56 5.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 11.9 p -56.52 -53.46 57.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.898 -177.071 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 40.8 ttmt -63.13 -27.98 69.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.345 -176.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.5 -50.12 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.68 -33.99 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.39 178.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 78' ' ' SER . 81.5 mm-40 -65.91 -37.92 87.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.887 178.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 26.4 mmm180 -65.5 -23.18 66.83 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.949 0.404 . . . . 0.0 110.674 179.411 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 36' ' ' ARG . 93.6 mt -101.94 10.56 39.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.545 178.527 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 58.65 44.18 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.78 0.8 . . . . 0.0 110.862 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 68.5 m -115.1 169.7 8.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.698 174.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.72 -140.23 1.74 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.756 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.83 150.74 86.37 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 0.0 110.994 -177.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 1.017 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.1 Cg_endo -79.91 115.98 3.37 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.876 2.384 . . . . 0.0 112.007 177.49 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 133' ' ' LEU . 88.0 mt -90.47 -45.84 8.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.018 -173.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.0 t -133.53 141.18 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 0.0 111.588 -172.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 74' ' ' PRO . 4.8 mt -139.68 84.05 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.068 177.308 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.67 174.93 32.93 Favored Glycine 0 C--N 1.32 -0.342 0 CA-C-O 119.289 -0.728 . . . . 0.0 111.612 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.46 123.57 13.1 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.488 2.125 . . . . 0.0 111.796 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -98.41 -76.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.538 -172.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 79.0 mt -137.3 170.09 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.461 0.648 . . . . 0.0 111.718 -176.065 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -113.54 96.49 5.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.164 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.2 p -108.19 36.93 2.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.953 -174.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.8 t80 64.38 103.6 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.328 0.585 . . . . 0.0 110.159 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.501 ' HB ' ' OG ' ' A' ' 104' ' ' SER . 19.0 p -128.88 67.64 78.08 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.107 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -87.72 -11.97 4.6 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.084 1.856 . . . . 0.0 111.939 176.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -153.59 -32.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.558 -177.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -61.25 -30.73 70.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.733 -172.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.501 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 56.4 p -95.15 124.53 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.157 0.503 . . . . 0.0 111.118 -175.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.2 pt -104.53 142.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.563 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 23.6 mt -105.86 118.3 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 173.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.2 t -94.88 139.66 31.0 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.809 -177.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -109.9 156.72 20.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.601 -175.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.34 -129.76 9.21 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.669 178.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -114.38 143.98 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -175.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 38.7 tp -53.2 114.85 1.61 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.801 179.289 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.65 10.42 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.644 -177.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.2 t -94.84 113.3 25.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 110.78 179.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.8 19.99 19.67 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 174.251 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 m -67.73 -34.01 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.687 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -141.28 94.05 2.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.143 0.497 . . . . 0.0 110.304 -179.283 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -117.08 142.18 47.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.7 m -121.99 155.83 34.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.828 0.347 . . . . 0.0 111.344 -173.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -79.7 134.15 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 -177.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -91.14 128.33 36.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.456 ' HD2' ' HA ' ' A' ' 121' ' ' ARG . 13.0 tpt85 -98.2 5.13 48.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.183 0.516 . . . . 0.0 110.466 -178.062 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -106.48 129.1 54.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -89.11 56.3 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.647 0.737 . . . . 0.0 110.534 -174.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.2 mtt -124.54 11.72 8.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.045 174.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.41 138.58 31.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.179 -178.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -105.55 130.43 53.61 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 170.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -65.42 133.37 51.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.901 0.381 . . . . 0.0 110.524 -178.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 tp -68.92 124.48 23.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.28 133.14 11.31 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.536 -175.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.474 ' HB3' HD21 ' A' ' 37' ' ' LEU . 67.3 tp -117.0 116.04 26.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 60.2 m -101.85 109.13 20.82 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.016 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.84 154.9 18.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' CD2' HD11 ' A' ' 90' ' ' LEU . 19.0 mt -60.67 113.14 2.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.009 0.433 . . . . 0.0 110.085 175.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.447 ' OE1' ' HB3' ' A' ' 44' ' ' CYS . 36.5 tt0 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.075 -174.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HD3' ' OG ' ' A' ' 27' ' ' SER . 11.1 ptp180 . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.7 0.286 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 94.5 mt -115.61 56.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.002 0.43 . . . . 0.0 110.193 177.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 29.8 m -90.31 151.59 21.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.241 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.48 22.48 0.17 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.05 0.452 . . . . 0.0 112.069 -176.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -108.29 -15.69 14.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.963 172.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.05 136.75 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.95 178.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -74.74 -11.5 21.99 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.486 2.124 . . . . 0.0 111.459 -178.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.24 -9.87 55.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.242 178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -80.63 134.27 35.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.175 -178.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -121.03 132.56 54.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.022 -178.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -147.09 157.44 43.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.056 178.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -139.3 145.78 39.54 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.3 mt -102.67 125.5 49.43 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 172.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -61.37 128.31 35.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.3 -18.11 56.94 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -172.762 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t 30.64 -86.9 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.897 1.279 . . . . 0.0 113.814 167.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -105.6 -41.69 5.4 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.252 0.549 . . . . 0.0 109.926 177.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 13.6 t -147.56 146.45 29.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -57.28 -22.84 44.42 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -167.131 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.803 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 79.7 m -113.37 26.11 10.71 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.531 -0.468 . . . . 0.0 111.607 -177.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 1.6 pt20 -155.27 100.21 2.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.719 0.771 . . . . 0.0 110.152 175.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -173.88 -156.72 13.93 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.554 -175.062 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -75.87 136.79 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.191 -0.299 . . . . 0.0 110.191 -177.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.8 tp -89.82 112.17 23.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 -178.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -108.09 128.87 55.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.45 151.37 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -94.55 112.15 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.892 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 105' ' ' ILE . 84.3 mt -94.04 -168.91 1.96 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.994 179.305 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -61.56 -27.26 68.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 179.426 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.1 -68.14 0.82 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.841 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.29 -158.35 9.18 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.374 -0.917 . . . . 0.0 113.122 -178.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.43 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.1 m95 -85.07 130.08 34.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.854 0.359 . . . . 0.0 110.466 -178.088 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -139.14 151.56 46.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.025 0.44 . . . . 0.0 110.971 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 75.4 mtp -85.52 131.47 34.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.628 -175.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.3 t -81.72 126.96 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.3 t -92.13 142.83 27.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -80.07 32.85 0.27 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.187 0.518 . . . . 0.0 111.548 -178.137 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -120.99 24.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.434 174.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.9 m -92.78 157.26 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -175.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 60.57 14.4 4.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.176 175.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.28 66.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.998 -177.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.474 HH12 HD22 ' A' ' 111' ' ' LEU . 23.1 mmt85 -107.74 136.97 46.59 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.6 t -76.24 154.97 34.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 -177.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -77.62 72.37 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 111.56 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -144.46 161.67 38.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -63.13 105.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.277 0.361 . . . . 0.0 110.199 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -77.47 136.49 38.36 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 58.03 3.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 111.265 -172.21 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -169.58 69.55 0.65 Allowed Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.643 172.651 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.47 -14.78 17.93 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.042 1.828 . . . . 0.0 111.665 179.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -70.18 -16.72 63.11 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.252 -179.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -56.34 -35.21 67.35 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 170.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.66 10.88 38.82 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.238 -175.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 t -58.92 -35.35 72.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.72 -29.78 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.3 t -66.89 -50.5 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 87' ' ' GLY . 80.6 m -56.89 -42.14 79.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.133 177.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.67 -49.64 75.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.872 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -64.19 -28.13 69.54 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.392 -178.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mp -90.92 9.98 28.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.937 -178.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.77 42.35 8.12 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.845 0.831 . . . . 0.0 110.413 177.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.8 m -125.01 168.27 13.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.291 -178.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 81' ' ' CYS . . . -75.55 -179.82 45.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.847 177.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.08 156.05 51.36 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.89 0.376 . . . . 0.0 111.818 -175.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.81 120.49 3.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.964 2.443 . . . . 0.0 113.383 -177.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 133' ' ' LEU . 72.4 mt -76.0 -54.03 7.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.832 177.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.8 m -143.03 159.82 41.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.674 -174.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 130' ' ' LEU . 46.1 tp -144.6 126.86 15.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.212 178.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.06 -148.16 12.39 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.278 -178.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.2 123.22 7.61 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.285 1.99 . . . . 0.0 112.035 179.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.907 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 45.2 t80 -105.01 -53.73 2.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.353 -179.344 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 97.4 mt -139.74 173.35 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.025 -179.687 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -127.0 86.98 2.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.842 0.83 . . . . 0.0 110.026 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -69.77 -23.23 63.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.23 -176.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 1.3 t80 57.69 35.23 25.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.87 170.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 m -110.95 96.58 30.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.766 -177.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 12.7 Cg_exo -70.7 67.89 2.26 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.459 2.772 . . . . 0.0 112.525 -178.56 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.706 ' HG3' ' HE1' ' A' ' 119' ' ' HIS . 63.1 tt0 -174.18 -50.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.559 177.22 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -70.4 -36.96 74.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.1 p -85.78 143.69 28.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 52' ' ' LEU . 29.8 pt -127.7 157.95 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.072 -177.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 59.4 mt -114.47 121.0 65.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 173.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 78.2 m -98.41 151.65 20.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.196 -176.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -126.31 160.25 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 -179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.17 -129.18 7.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.82 -178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -104.05 151.94 22.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.474 HD22 HH12 ' A' ' 66' ' ' ARG . 43.1 tp -56.34 104.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.35 0.406 . . . . 0.0 110.883 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.57 -5.76 26.29 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.785 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.7 t -101.19 118.78 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.151 0.5 . . . . 0.0 110.289 177.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 80.7 m-85 -105.72 28.26 7.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 27.8 m -57.8 -33.12 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.933 -174.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -147.11 114.27 6.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.048 0.452 . . . . 0.0 109.962 176.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 56.6 m -120.07 151.18 39.41 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.697 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -116.04 143.61 45.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.042 0.448 . . . . 0.0 111.5 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.706 ' HE1' ' HG3' ' A' ' 102' ' ' GLN . 13.9 t60 -61.61 119.93 9.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.756 176.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -97.41 109.91 22.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.958 0.408 . . . . 0.0 110.856 -176.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -87.53 -6.61 58.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.362 0.601 . . . . 0.0 109.574 173.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -63.49 125.64 24.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.515 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.26 -22.3 52.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 178.656 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.3 ttt -77.33 81.76 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.299 0.571 . . . . 0.0 109.532 174.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 43.7 t -141.29 135.68 30.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.717 -178.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -117.69 125.66 51.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.9 m -65.72 127.68 32.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.308 . . . . 0.0 110.66 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.1 tp -70.98 128.57 36.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.957 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.907 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -122.26 132.03 8.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.028 -179.409 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 92' ' ' LEU . 58.1 tp -109.81 127.38 54.63 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.9 m -105.69 91.29 3.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 -177.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 19.8 m -87.25 159.35 18.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.068 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.553 HD12 ' HG ' ' A' ' 90' ' ' LEU . 4.0 mp -69.27 85.86 0.4 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.803 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 8.4 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.746 -0.645 . . . . 0.0 109.301 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' HA ' ' HB3' ' A' ' 115' ' ' SER . 70.0 mtt180 . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.611 0.243 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' H ' ' HA ' ' A' ' 115' ' ' SER . 69.1 mt -95.65 93.23 7.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 169.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -114.25 163.85 14.69 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.978 -175.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -77.54 13.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.701 -176.851 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -100.79 -9.86 21.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.571 173.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.31 142.89 55.16 Favored Pre-proline 0 C--O 1.233 0.219 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.508 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.88 -24.66 24.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 123.232 2.621 . . . . 0.0 113.413 -172.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -109.16 16.99 22.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -178.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -75.34 123.69 25.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 178.188 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.87 119.98 37.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.631 -175.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.22 160.88 39.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.345 179.364 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.62 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -157.67 173.93 16.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.282 179.319 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.12 138.91 51.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.5 p -60.65 146.09 46.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.653 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.547 ' HG3' ' H ' ' A' ' 40' ' ' SER . 16.5 ptt85 -47.1 -59.81 2.89 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.45 0.469 . . . . 0.0 111.596 -179.047 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.547 ' H ' ' HG3' ' A' ' 39' ' ' ARG . 24.4 t 57.53 -100.7 0.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 176.064 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -115.73 -37.74 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.574 ' HB3' ' OE1' ' A' ' 45' ' ' GLN . 23.2 t -153.66 143.26 21.75 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 173.259 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.46 8.54 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -169.65 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 43.5 t -106.06 -8.36 17.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.33 0.586 . . . . 0.0 110.64 -179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.574 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 0.6 OUTLIER -148.89 96.84 2.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 0.0 110.05 179.129 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.34 -157.61 9.32 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.926 -175.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -80.81 139.09 36.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.38 120.3 24.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.963 0.411 . . . . 0.0 111.293 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.62 ' HB2' ' HG3' ' A' ' 36' ' ' ARG . 47.7 mt-10 -110.55 127.42 55.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.536 174.302 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 114' ' ' PHE . 30.6 m -119.53 152.0 22.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 179.062 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -93.09 112.43 24.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.881 -177.457 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.5 mt -103.12 -172.89 2.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.781 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mptp? -59.17 -42.13 90.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.38 . . . . 0.0 110.558 -179.201 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.12 -49.04 68.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.76 -152.12 22.96 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.841 -176.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -80.8 132.1 35.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.784 0.326 . . . . 0.0 110.454 -177.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -136.39 148.49 47.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.392 -178.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.1 mtp -79.9 132.47 36.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.221 179.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.5 t -85.37 128.67 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.935 0.398 . . . . 0.0 110.448 178.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.81 151.31 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 77.5 p -65.68 -26.74 67.91 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -169.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.89 10.69 3.91 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.035 0.384 . . . . 0.0 112.035 -176.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.4 m -66.48 137.11 56.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 -179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 62.19 10.83 4.01 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.939 178.333 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.25 28.99 23.65 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.264 178.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 61' ' ' SER . 41.9 mmt-85 -70.99 129.65 39.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 117.171 0.486 . . . . 0.0 109.994 173.292 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.9 t -105.3 -174.88 2.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.0 -178.089 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.4 t -76.97 48.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.44 0.638 . . . . 0.0 110.534 178.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -164.19 127.81 2.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.708 178.114 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.484 ' OE1' ' HA ' ' A' ' 91' ' ' SER . 9.7 tt0 -60.1 127.98 34.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.901 0.381 . . . . 0.0 110.822 -178.362 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -70.9 150.53 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.61 -15.33 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -169.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -129.4 94.18 33.6 Favored Pre-proline 0 C--N 1.326 -0.433 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.753 176.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -87.88 -5.74 6.83 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.942 2.428 . . . . 0.0 111.092 170.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.831 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 52.7 m -75.09 -8.9 57.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.178 -173.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.33 -27.22 45.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.803 0.335 . . . . 0.0 111.149 177.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.47 25.53 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.576 -175.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.484 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 63.4 m -53.96 -39.41 65.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.535 179.242 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.633 -177.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.36 -51.7 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.112 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 87.4 m -64.34 -34.6 78.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.636 -178.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -54.61 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -63.99 -22.12 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.499 -175.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.6 tp -86.38 3.26 44.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.828 179.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.8 t30 63.3 51.93 2.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.843 0.83 . . . . 0.0 110.207 -178.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.9 m -121.55 -80.4 0.62 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.534 178.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.17 -132.22 2.75 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.256 -177.058 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.7 m-20 -79.12 151.72 75.98 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.529 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.831 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 9.7 Cg_endo -86.74 105.31 0.68 Allowed 'Trans proline' 0 N--CA 1.452 -0.928 0 C-N-CA 123.162 2.575 . . . . 0.0 111.163 173.78 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -77.98 -46.04 22.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.229 -174.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.484 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 14.5 m -140.09 144.01 36.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.776 -175.434 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.589 ' HG ' HD13 ' A' ' 130' ' ' LEU . 2.5 tt -146.67 85.29 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -159.55 -165.01 15.68 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.465 -177.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.51 111.03 1.98 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.796 2.33 . . . . 0.0 111.863 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.902 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.4 t80 -98.74 -62.99 1.16 Allowed 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.404 -174.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.631 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 92.3 mt -123.35 -174.14 2.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.778 0.323 . . . . 0.0 110.779 -176.307 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -142.45 81.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.694 179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -77.81 -34.17 52.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.472 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 50.21 61.81 3.0 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.2 m -115.61 87.03 16.49 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 171.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.79 55.66 3.34 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.649 2.899 . . . . 0.0 113.085 -172.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -147.08 -48.95 0.18 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.378 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 m -90.32 -8.04 51.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.945 -178.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.8 p -92.99 140.81 29.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -125.67 154.65 34.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.025 177.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.0 tt -123.44 125.56 71.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.21 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.4 m -95.18 124.81 39.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -174.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -106.18 153.57 21.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 173.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 124.4 -149.49 16.94 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.971 -179.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -93.5 140.33 29.71 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.9 tp -51.34 120.62 5.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.173 -178.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.85 -12.14 41.63 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.101 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -101.01 113.75 27.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 111.055 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CE2' HG11 ' A' ' 50' ' ' VAL . 85.9 m-85 -101.02 40.0 1.33 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 173.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' A' ' 25' ' ' ARG . 14.5 p -52.19 -60.52 3.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.919 -174.341 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -146.9 84.27 1.6 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 45.4 m -77.6 132.86 38.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.55 177.53 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -99.87 157.97 16.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 111.008 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -60.38 128.74 38.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.531 177.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -65.67 118.23 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.564 -176.373 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -123.81 68.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 175.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -127.93 152.17 48.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.935 -172.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.44 -36.77 45.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.991 175.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.5 ttp -135.22 125.13 25.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.11 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 22.3 t -168.03 137.61 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -107.41 166.74 10.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.687 -175.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.7 m -77.98 129.02 34.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.052 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.41 123.38 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.902 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -111.96 118.54 4.77 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.323 -176.88 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.589 HD13 ' HG ' ' A' ' 92' ' ' LEU . 60.1 tp -103.03 117.42 34.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.037 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 85.0 m -100.16 103.33 14.81 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.313 179.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 81.7 m -89.14 154.83 19.84 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.71 91.68 0.83 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 111.199 -176.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.665 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 38.4 tt0 . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 169.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.959 0.409 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 114' ' ' PHE . 94.3 mt -109.44 61.62 0.6 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 171.37 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.6 m -90.05 153.55 20.48 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.733 -175.694 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.492 ' CZ2' ' HB3' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -78.18 35.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 111.195 178.356 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 27' ' ' SER . 31.8 m-85 -134.07 1.94 3.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.039 171.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 m-20 -88.77 139.04 29.33 Favored Pre-proline 0 C--N 1.331 -0.237 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 17.3 Cg_exo -66.38 -26.14 48.42 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.421 2.747 . . . . 0.0 113.329 -171.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -92.79 -1.49 56.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.996 -177.452 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -82.02 128.65 34.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.896 0.379 . . . . 0.0 110.058 -179.451 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -111.0 138.55 47.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -149.16 151.87 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HG3' ' HB2' ' A' ' 49' ' ' GLU . 7.5 ptp180 -145.49 170.68 15.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.881 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.2 mt -111.14 143.35 42.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.605 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 p -63.49 161.03 15.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.358 0.412 . . . . 0.0 110.829 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -54.62 -61.89 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -178.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.2 t 53.17 -99.12 0.08 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 123.816 0.697 . . . . 0.0 111.014 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -126.49 -15.34 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.513 0.673 . . . . 0.0 109.749 177.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.655 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 40.7 t -167.68 139.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.22 -176.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 50.0 mtpt -68.45 -10.89 58.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.082 -179.188 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 134' ' ' GLU . 12.8 t -98.92 5.0 47.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 111.022 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 1.6 pp0? -158.87 116.89 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.338 0.59 . . . . 0.0 110.809 177.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 173.83 -163.07 34.03 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.914 -177.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.98 142.94 41.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.1 tp -81.13 119.41 23.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.21 -176.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.711 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 44.5 mt-10 -111.59 126.2 54.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 172.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.7 m -111.15 150.96 13.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.162 179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -89.21 107.98 19.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD11 HD13 ' A' ' 105' ' ' ILE . 93.4 mt -88.28 -173.8 4.36 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.31 176.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -61.78 -35.72 78.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.872 0.368 . . . . 0.0 111.095 -175.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -93.97 -32.2 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -177.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.09 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 119.718 -1.229 . . . . 0.0 113.531 -177.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.46 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.8 m95 -78.03 135.55 37.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.812 0.339 . . . . 0.0 111.45 -176.478 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -141.25 142.95 33.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.698 176.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.711 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 55.8 mtm -77.92 141.55 38.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 -178.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.5 t -89.94 132.16 35.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 110.616 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.5 t -86.38 136.29 33.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.5 t -76.48 12.76 1.14 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -171.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.417 HE21 ' ND2' ' A' ' 122' ' ' ASN . 20.7 tt0 -117.39 39.75 3.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.952 0.882 . . . . 0.0 109.491 176.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.7 m -99.08 162.05 13.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.217 179.14 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 7.0 m-90 60.9 -91.98 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.884 0.74 . . . . 0.0 111.523 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.92 37.48 1.34 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 176.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -116.57 167.36 11.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 t -152.18 -154.83 0.56 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.1 m -78.34 58.27 2.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 0.0 110.995 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -135.25 159.27 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.404 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -129.26 133.01 47.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.188 0.518 . . . . 0.0 111.342 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -106.78 153.8 21.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.658 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -84.5 42.28 0.89 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.902 0.382 . . . . 0.0 110.725 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -151.47 83.25 5.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.127 0.489 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -92.09 7.51 3.15 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.066 2.51 . . . . 0.0 111.722 178.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 m -59.89 -24.25 64.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.218 -173.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' HB3' ' CZ2' ' A' ' 28' ' ' TRP . 12.4 mm100 -53.98 -27.25 30.34 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.9 35.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 111.699 -176.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -53.86 -55.45 26.58 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.567 -178.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -64.24 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.253 -175.425 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.85 -59.16 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.819 -176.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.1 m -61.33 -39.33 90.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -67.62 -47.64 69.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.303 -175.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -73.52 -20.16 60.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.812 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 31.8 tp -67.81 -56.29 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.992 175.429 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 84' ' ' LEU . 9.6 t30 158.12 -33.37 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 O-C-N 124.092 0.87 . . . . 0.0 110.586 -175.067 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 133' ' ' LEU . 57.9 m -85.08 179.29 7.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.229 -169.43 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.06 -132.16 4.34 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.757 -179.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.68 156.93 88.14 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.36 136.38 9.93 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.346 2.697 . . . . 0.0 112.341 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 133' ' ' LEU . 73.1 mt -91.44 -49.58 6.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.353 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 p -143.0 145.35 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -178.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tt -141.85 131.97 24.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.91 -163.78 32.42 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.449 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.89 99.68 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.475 2.117 . . . . 0.0 111.632 177.345 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.868 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 59.9 t80 -86.63 -59.63 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.314 -177.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.6 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 82.8 mt -125.01 161.14 27.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.65 178.078 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -116.51 68.55 0.73 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.57 0.7 . . . . 0.0 110.447 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.5 m -66.62 -29.82 69.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.19 177.477 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.3 t80 48.65 62.15 2.71 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.743 0.652 . . . . 0.0 111.101 175.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 p -123.23 85.05 51.68 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.565 176.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 39.6 Cg_exo -58.08 -24.08 64.25 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.133 2.555 . . . . 0.0 112.514 -178.344 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.561 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 53.5 tt0 -67.11 -31.69 72.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.882 179.652 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.3 t -102.0 -33.7 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -176.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.7 p -87.2 156.21 19.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.483 0.658 . . . . 0.0 111.874 -174.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.83 HD13 HD11 ' A' ' 52' ' ' LEU . 36.2 pt -127.09 152.64 35.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.633 178.522 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.16 134.95 59.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.373 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -118.61 158.58 25.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -174.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -124.97 152.4 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.627 -177.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 120.7 -152.43 16.87 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.474 -179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.79 133.95 36.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.122 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 50.7 tp -52.49 100.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.522 0.514 . . . . 0.0 111.715 -179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 130.88 -20.68 4.78 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 -179.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.0 t -107.45 115.62 30.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.893 0.378 . . . . 0.0 110.459 -178.494 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 91.3 m-85 -86.57 53.33 2.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.67 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.4 p -71.55 -31.54 67.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.779 -174.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -151.0 95.79 2.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.976 0.417 . . . . 0.0 110.451 179.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 2.9 m -115.25 162.01 17.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.975 -179.729 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.8 m -147.96 165.72 29.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.747 0.308 . . . . 0.0 111.114 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.561 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 57.8 t-80 -57.73 133.2 55.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.926 177.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 22.6 t -65.45 123.26 19.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.6 . . . . 0.0 111.1 -174.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -131.02 4.21 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.086 177.81 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.417 ' ND2' HE21 ' A' ' 62' ' ' GLN . 33.9 t-20 -71.51 141.67 50.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.695 -172.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.71 -17.27 64.77 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.848 -176.292 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 mtt -132.25 119.05 20.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.0 t -143.84 112.34 6.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.201 0.524 . . . . 0.0 110.948 -178.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -111.45 125.8 54.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 174.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.03 133.49 55.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.065 0.459 . . . . 0.0 111.647 -176.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 tt -77.71 130.18 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.139 -176.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.868 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.14 145.31 18.67 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.229 -179.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.413 ' HB3' HD21 ' A' ' 37' ' ' LEU . 54.4 tp -131.38 136.34 47.96 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.615 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 89.0 m -121.73 113.77 20.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 176.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 26.2 m -103.21 159.78 15.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.701 -177.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.546 HD21 HD21 ' A' ' 90' ' ' LEU . 38.5 mt -73.19 117.21 14.65 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 178.397 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.619 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 28.8 tt0 . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 171.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.648 0.261 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -130.93 91.67 3.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.1 t -104.44 153.69 20.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -1.13 15.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.024 0.44 . . . . 0.0 110.302 175.536 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.64 -28.14 33.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.431 175.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 6.4 m-20 -60.59 134.44 91.73 Favored Pre-proline 0 C--O 1.231 0.092 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.235 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 11.3 Cg_exo -70.59 -24.31 26.0 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 123.069 2.513 . . . . 0.0 112.308 -175.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.21 -2.11 56.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -77.99 102.52 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 14.9 mm100 -85.3 131.38 34.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.783 -178.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.03 150.66 37.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.881 177.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.37 166.54 32.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.992 0.425 . . . . 0.0 110.205 -179.679 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 130' ' ' LEU . 46.4 mt -110.42 138.25 47.06 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.603 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -67.43 165.89 15.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.87 -73.11 0.09 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.138 0.273 . . . . 0.0 110.806 -174.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.7 t 65.98 -74.6 0.06 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.499 0.5 . . . . 0.0 111.285 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -147.73 -32.52 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.445 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.599 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 50.2 m -145.58 145.9 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.698 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 2.6 mppt? -65.29 -20.27 66.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.902 -169.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 86.6 m -117.32 24.16 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 175.23 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 66.8 mt-30 -141.1 79.04 1.67 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.31 -152.49 6.57 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.281 -176.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.97 143.59 28.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.66 110.04 13.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.126 0.488 . . . . 0.0 110.416 -178.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -111.56 124.45 52.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.0 m -119.45 152.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.016 0.436 . . . . 0.0 111.005 -175.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.46 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 61.8 t80 -105.38 114.33 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.506 -178.086 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.57 -167.0 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.9 mptp? -57.15 -36.48 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 0.0 110.559 178.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -85.75 7.94 21.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.811 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.45 -154.64 20.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.557 -0.83 . . . . 0.0 113.382 173.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -81.78 122.04 27.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.088 0.471 . . . . 0.0 111.071 -178.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -139.96 150.45 44.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.379 176.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.471 ' O ' HG12 ' A' ' 105' ' ' ILE . 67.1 mtp -81.13 154.01 26.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.14 -178.722 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.5 t -101.69 129.17 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.436 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.27 141.92 30.61 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.8 t -67.85 -10.91 56.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.264 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.24 8.14 34.69 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.889 -0.507 . . . . 0.0 111.22 179.722 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.1 m -70.31 155.8 40.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.918 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 60.12 27.92 17.43 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.056 175.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.88 34.08 87.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.516 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -102.94 158.02 16.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.963 0.411 . . . . 0.0 110.549 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.436 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 2.2 p -101.31 155.97 17.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.457 176.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.9 m -79.82 76.5 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 111.874 -174.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HE3' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -154.31 169.86 22.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.812 175.177 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -59.29 118.14 5.61 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.887 0.375 . . . . 0.0 110.666 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -78.97 139.0 38.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.574 178.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.43 -9.73 54.92 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -130.02 77.96 75.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 110.672 -177.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 3.0 Cg_exo -75.32 -18.85 17.74 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.538 2.159 . . . . 0.0 111.407 177.357 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -20.11 61.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.144 -0.934 . . . . 0.0 112.24 -178.115 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -56.07 -29.04 59.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.65 0.262 . . . . 0.0 111.499 176.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.75 22.2 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -173.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -57.02 -39.93 75.71 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -63.98 -31.41 72.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.321 -177.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.34 -51.2 71.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 22.4 m -63.75 -35.77 81.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.548 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -62.14 -45.53 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.794 179.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -74.65 -18.13 60.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.76 7.42 44.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 177.165 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.67 48.57 1.4 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.644 175.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.4 m -140.65 179.76 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 176.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.32 -152.61 27.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.961 -173.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 17.7 t70 -64.41 145.79 98.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 123.399 0.679 . . . . 0.0 111.222 -175.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 88' ' ' ASP . 3.0 Cg_exo -71.62 109.57 2.67 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.068 2.512 . . . . 0.0 112.092 177.685 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -72.17 -47.15 52.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.945 -178.025 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -141.28 158.9 43.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -175.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 74' ' ' PRO . 3.9 tt -155.17 109.29 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -176.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.76 -149.54 10.52 Favored Glycine 0 C--O 1.226 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.79 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.68 87.34 1.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.342 2.028 . . . . 0.0 111.839 179.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.904 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 42.8 t80 -71.18 -46.37 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.655 -175.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.0 164.41 29.12 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.646 -176.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -120.49 82.93 1.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.294 0.569 . . . . 0.0 109.796 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -80.22 -24.92 39.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.063 -177.178 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.45 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 73.3 m-85 57.88 27.05 14.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.451 177.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.2 p -90.7 104.69 9.75 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 111.504 -178.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 122' ' ' ASN . 56.3 Cg_endo -72.06 -31.15 12.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.723 2.282 . . . . 0.0 112.941 -176.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.61 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 64.0 tt0 -82.8 -34.72 26.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.279 0.561 . . . . 0.0 110.571 -177.349 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 m -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.834 -177.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.6 m -91.23 141.66 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.215 -174.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' MET . 21.4 pt -116.72 158.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.439 178.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.0 mt -110.07 112.55 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.961 179.027 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 71.2 m -93.68 153.13 18.53 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.582 -179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -122.96 159.93 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.45 -177.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.33 -129.8 9.53 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.233 -178.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -120.12 146.36 46.03 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.0 tp -51.15 103.03 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 124.017 0.823 . . . . 0.0 111.242 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.72 -25.07 3.8 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.925 -178.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t -100.07 110.73 23.02 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.111 0.481 . . . . 0.0 110.238 -179.054 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -100.88 23.41 10.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.028 -179.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.6 m -66.09 -21.07 66.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.293 -174.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -145.15 104.61 3.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.882 0.372 . . . . 0.0 110.775 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 51.9 m -127.1 148.58 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.013 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 m -127.36 143.92 51.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.9 0.381 . . . . 0.0 111.263 -177.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.61 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 46.6 t-80 -63.99 132.91 52.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.371 176.536 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 t -77.68 139.9 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.141 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -112.13 13.04 20.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.886 177.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' A' ' 101' ' ' PRO . 93.7 m-20 -115.22 130.06 56.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.201 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.22 29.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.51 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 122' ' ' ASN . 41.5 ttm -136.51 100.36 4.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.064 179.245 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.8 t -142.57 135.01 27.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.055 0.455 . . . . 0.0 110.802 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -91.56 120.08 32.05 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 174.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.0 m -69.27 120.52 15.22 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 123.509 0.506 . . . . 0.0 110.538 -176.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.18 127.02 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.904 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -124.43 140.3 12.48 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -175.724 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.589 ' HB3' HD21 ' A' ' 37' ' ' LEU . 39.3 tp -118.8 118.17 30.85 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.268 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.9 m -97.18 93.45 6.55 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.175 -178.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 28.6 m -91.16 142.66 27.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.692 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.69 112.01 2.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.918 0.39 . . . . 0.0 110.488 177.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.707 -177.972 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 25' ' ' ARG . 1.8 mpt_? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.71 0.29 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.6 mt -115.92 77.06 1.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.209 178.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 m -114.75 151.55 33.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.09 21.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.045 0.45 . . . . 0.0 112.009 -177.626 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -120.96 1.79 10.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.074 172.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.3 m-20 -83.78 137.38 41.11 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.352 179.203 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.8 Cg_exo -47.44 -47.59 17.37 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.343 2.695 . . . . 0.0 113.69 -171.242 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -102.82 26.05 8.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.932 -172.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.88 140.19 55.17 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.23 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 20.7 mt-30 -120.87 125.46 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.109 -175.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.541 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.86 151.55 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.128 -178.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -148.84 170.79 17.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.491 179.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.6 mt -115.82 144.0 44.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.0 p -58.98 162.15 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.051 -177.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -82.92 51.03 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.055 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 m -83.94 -73.95 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.264 -176.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -102.07 -64.73 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.527 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -149.77 -179.62 7.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 8.6 ptpp? -58.74 -38.41 78.34 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -169.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.747 ' HA ' HD12 ' A' ' 37' ' ' LEU . 72.4 m -112.49 28.27 8.92 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -176.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -145.5 90.14 1.99 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.15 -179.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.42 -162.75 29.11 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.064 -178.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 1.9 mp0 -78.87 148.53 32.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 110.406 -178.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.5 tp -87.24 120.01 28.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.79 -176.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -114.57 123.13 48.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.565 174.178 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.7 m -110.24 149.63 13.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.116 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 62.4 t80 -81.55 92.75 6.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.798 ' HG ' ' H ' ' A' ' 53' ' ' LYS . 12.8 tp -81.31 -167.92 1.64 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.794 -176.071 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.798 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 60.9 tttm -76.65 41.74 0.27 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.674 0.75 . . . . 0.0 110.816 -177.694 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -167.81 -48.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.844 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.89 -160.16 30.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.015 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m95 -72.07 121.12 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.1 -178.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -133.07 140.53 47.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.549 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.544 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 61.1 mtp -72.12 153.35 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.156 178.345 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.6 t -103.94 130.85 53.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.903 0.382 . . . . 0.0 111.18 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.0 t -83.84 144.2 29.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 175.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.505 ' HA ' HD12 ' A' ' 128' ' ' LEU . 66.9 p -68.68 -16.13 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.734 -174.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -82.93 12.76 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.076 0.465 . . . . 0.0 110.687 -178.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.1 155.05 41.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.792 -176.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 61.21 18.48 9.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.542 178.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.45 71.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.351 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -85.31 148.28 26.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 p -76.33 159.88 30.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 m -74.72 42.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -174.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.7 mptp? -120.31 130.47 54.46 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' NE2' ' H ' ' A' ' 92' ' ' LEU . 18.4 tm0? -78.59 120.45 23.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.076 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -94.14 128.4 40.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 51.2 mt-10 -78.54 44.15 0.51 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -171.239 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -130.59 67.73 80.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 1.5 Cg_endo -86.96 0.78 7.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.361 2.708 . . . . 0.0 112.583 -175.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -60.46 -15.64 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.01 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.38 -17.08 64.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.868 177.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.94 16.32 21.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.158 -178.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.664 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 35.9 p -57.38 -38.92 75.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.684 -177.231 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 67.7 mmtt -68.99 -23.99 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.671 -176.524 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.3 t -67.38 -45.59 85.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m -64.33 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.454 176.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.3 -44.9 93.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.549 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.39 -25.81 67.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 177.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' SG ' ' A' ' 44' ' ' CYS . 8.3 tp -89.97 6.02 43.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.721 -178.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 69.04 41.73 1.38 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.245 176.166 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 66.9 m -133.62 177.02 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.683 176.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.48 -148.34 14.03 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.84 -177.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.22 156.15 70.35 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 111.46 -178.175 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.664 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 11.5 Cg_endo -87.13 118.3 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 123.185 2.59 . . . . 0.0 112.063 178.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.0 mt -78.52 -46.85 18.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.769 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.4 m -135.84 143.77 45.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.97 -175.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 130' ' ' LEU . 41.7 tp -146.12 115.9 7.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.131 176.806 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.06 -151.66 23.69 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.566 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.44 102.85 0.14 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.521 2.147 . . . . 0.0 111.984 178.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 56.1 t80 -97.98 -66.4 0.9 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.421 -175.779 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 59.7 mt -124.6 -176.83 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.271 178.094 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . 16.9 ptpt -128.95 75.54 1.65 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.061 0.458 . . . . 0.0 111.55 -174.396 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.2 m -75.82 -26.99 57.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.75 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 97' ' ' LYS . 30.6 m-85 43.61 67.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 175.363 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.8 m -134.65 95.45 15.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.197 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.36 10.42 0.57 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.758 2.972 . . . . 0.0 114.054 -173.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -126.47 3.54 6.92 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.228 0.537 . . . . 0.0 110.425 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -120.99 -29.23 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.443 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.544 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 7.3 m -102.02 130.91 48.69 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.935 178.121 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' MET . 33.1 pt -105.49 157.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.01 0.433 . . . . 0.0 110.729 -178.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.0 tt -118.18 126.33 74.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 175.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.9 m -104.38 156.02 18.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.749 0.309 . . . . 0.0 110.554 -176.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -125.39 149.86 47.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.415 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 126.99 -154.24 19.29 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.58 -176.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -87.38 150.48 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -178.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.5 113.24 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.918 179.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.66 -21.38 11.49 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.468 179.518 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.8 t -88.24 117.03 26.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.081 0.467 . . . . 0.0 111.022 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -106.71 28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.1 t -89.1 3.86 50.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.196 -174.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.8 94.09 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 20.3 m -136.29 149.61 48.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.013 0.435 . . . . 0.0 111.562 -175.335 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 m -142.3 151.29 41.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 175.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.66 131.21 45.79 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.03 179.021 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.2 m -63.54 123.58 19.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.365 -174.014 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 121' ' ' ARG . 21.4 ttt85 -103.97 58.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.776 0.798 . . . . 0.0 109.352 175.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -154.03 139.12 17.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.25 179.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -74.34 -29.82 61.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.624 -173.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.2 ptm -85.04 62.46 7.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.773 0.797 . . . . 0.0 110.64 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -109.57 88.17 2.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.259 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 146.24 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.747 174.017 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.3 m -89.24 126.46 35.51 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.925 0.393 . . . . 0.0 110.687 -176.017 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.9 tt -83.28 127.14 33.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.681 -177.702 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -128.84 167.75 20.86 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.551 -178.253 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 92' ' ' LEU . 51.8 tp -125.05 127.87 47.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 5.7 m -110.93 99.93 8.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.638 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.6 m -97.99 156.36 16.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.411 0.148 . . . . 0.0 110.682 -177.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.18 97.62 0.19 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.079 0.466 . . . . 0.0 110.077 174.073 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.583 ' OE2' ' HG2' ' A' ' 43' ' ' LYS . 87.4 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.683 -177.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.65 ' N ' ' HG ' ' A' ' 115' ' ' SER . 35.6 mtt85 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.877 0.37 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.13 128.84 36.43 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -127.44 159.45 34.46 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -75.66 14.6 0.61 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.525 -179.539 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.472 ' HD1' ' HG3' ' A' ' 79' ' ' LYS . 48.6 m-85 -110.65 -6.32 14.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.439 174.402 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 3.9 m-20 -69.04 136.51 89.5 Favored Pre-proline 0 C--O 1.234 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 110.454 179.19 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 45.5 Cg_exo -58.15 -27.5 80.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.688 2.926 . . . . 0.0 113.829 -174.419 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -115.38 18.86 15.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.228 -177.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 63.6 t80 -60.28 128.02 34.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.038 0.447 . . . . 0.0 110.373 -179.272 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 46.3 mt-30 -103.32 109.89 21.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -174.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.3 151.92 36.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -150.29 147.82 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.912 -179.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 71.6 mt -101.85 117.51 35.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 167.2 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -81.79 -96.22 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -168.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -115.28 -97.85 0.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.165 -169.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 p 46.8 -97.52 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.396 0.679 . . . . 0.0 112.098 -176.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -95.15 -51.87 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -170.03 172.46 6.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -70.25 -15.16 62.88 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -165.221 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 55.9 m -116.13 14.51 15.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.89 0.376 . . . . 0.0 110.893 175.542 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 12.4 pm0 -150.09 83.67 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.654 0.74 . . . . 0.0 109.587 174.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.3 -156.62 8.37 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.724 -175.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -79.9 137.43 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.218 -178.178 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.5 tp -77.57 109.95 11.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.34 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 48.8 mt-10 -112.62 127.32 56.06 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.699 175.469 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 m -124.31 154.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.88 0.372 . . . . 0.0 110.929 -175.429 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 11.3 t80 -93.41 91.08 6.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.848 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.97 -72.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.243 -173.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -149.65 -47.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -174.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.03 -27.04 48.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.696 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.55 -145.58 13.11 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -177.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -80.56 117.17 21.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.167 0.508 . . . . 0.0 110.321 176.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -126.25 139.05 53.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.68 -176.125 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.477 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 69.7 mtp -76.61 147.92 37.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.4 t -101.68 129.0 53.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.81 0.338 . . . . 0.0 110.433 178.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 t -78.33 132.83 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.697 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 1.1 p -74.49 2.32 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -175.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -86.12 5.3 34.47 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 172.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 14.2 t -68.77 150.52 47.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.553 -173.613 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 58.27 22.02 8.82 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.972 176.284 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 43.29 82.05 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.974 177.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 63' ' ' SER . 2.7 mmp_? -69.43 145.91 52.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 0.0 110.011 175.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 p -69.73 156.38 39.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.447 177.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.3 m -76.39 45.09 0.37 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.385 0.612 . . . . 0.0 110.807 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -150.12 162.34 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.82 122.42 16.88 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -73.62 142.48 46.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.276 -171.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -90.96 15.36 11.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.255 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.54 74.71 13.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.009 0.433 . . . . 0.0 110.121 177.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.98 -14.32 5.2 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.341 2.028 . . . . 0.0 112.745 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.9 p -66.18 -5.91 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.255 -174.76 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -62.39 -25.87 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.036 0.446 . . . . 0.0 110.11 175.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.22 21.2 17.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.282 -173.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.572 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 68.2 m -55.4 -32.75 62.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.728 0.299 . . . . 0.0 111.543 178.484 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.472 ' HG3' ' HD1' ' A' ' 29' ' ' TYR . 42.5 mmtm -66.03 -31.01 71.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.507 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.03 -50.56 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.004 0.431 . . . . 0.0 109.874 177.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 11.0 m -62.28 -37.7 86.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.039 178.287 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.57 -39.19 87.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.044 179.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -68.9 -19.18 64.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.23 179.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' H ' ' A' ' 37' ' ' LEU . 10.4 mp -102.36 11.34 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 111.047 176.496 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 62.33 41.5 10.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.773 0.797 . . . . 0.0 111.286 179.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 41.4 m -122.63 165.12 16.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.418 171.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -79.63 -139.19 1.89 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.101 -173.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.06 151.88 64.31 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 -178.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.572 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 66.3 Cg_endo -80.22 124.95 5.6 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.046 2.497 . . . . 0.0 112.566 178.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.42 -36.84 57.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.3 p -152.36 150.87 30.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -175.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -148.17 132.88 17.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.731 177.324 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.41 -159.46 29.47 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.211 -0.995 . . . . 0.0 112.426 179.294 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -71.67 79.96 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.064 2.509 . . . . 0.0 111.973 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 10.7 t80 -90.03 -34.78 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.743 0.306 . . . . 0.0 110.488 -177.432 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 95' ' ' PHE . 4.4 mp -137.94 179.88 6.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 178.681 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' HD3' ' HD2' ' A' ' 126' ' ' HIS . 59.9 pttt -161.11 121.02 2.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 110.921 173.434 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.6 p -89.27 -14.67 35.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.286 0.565 . . . . 0.0 110.533 176.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 63.82 22.22 12.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.241 174.161 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.462 ' HB ' ' OG ' ' A' ' 103' ' ' SER . 19.1 m -101.53 108.12 54.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.106 0.479 . . . . 0.0 110.154 176.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.73 11.25 3.16 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.198 2.599 . . . . 0.0 114.413 -170.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -129.99 6.17 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.092 0.472 . . . . 0.0 110.82 178.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.462 ' OG ' ' HB ' ' A' ' 100' ' ' THR . 57.5 p -110.52 -9.93 14.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.4 0.619 . . . . 0.0 109.822 174.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 p -125.93 141.96 51.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.055 -176.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 pt -113.13 157.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.956 178.013 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.7 tt -131.66 114.2 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.322 0.582 . . . . 0.0 110.063 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 28.4 m -86.54 153.82 21.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.604 -175.437 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -127.43 166.23 18.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.795 0.331 . . . . 0.0 111.151 -179.258 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 79.2 -117.67 4.6 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.624 174.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.05 125.41 29.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.363 -169.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.67 123.04 16.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.192 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.76 -12.59 53.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.793 177.145 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -78.54 92.97 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.888 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -85.22 64.39 8.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.712 175.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.65 ' HG ' ' N ' ' A' ' 25' ' ' ARG . 23.5 m -153.47 -54.74 0.11 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.83 179.302 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -80.31 61.86 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.556 0.693 . . . . 0.0 109.683 176.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.691 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 58.7 m -111.04 144.84 39.52 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.711 -177.276 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.5 t -108.26 160.07 16.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.731 -176.055 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -83.97 134.1 34.67 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.001 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -74.97 70.14 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -79.7 63.74 4.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.597 0.713 . . . . 0.0 109.566 176.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.61 137.28 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.459 179.185 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.21 48.17 1.53 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.129 0.49 . . . . 0.0 110.53 -177.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -149.3 29.49 0.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.452 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.48 143.14 27.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.212 0.53 . . . . 0.0 110.688 -178.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.448 ' HD2' ' HD3' ' A' ' 97' ' ' LYS . 39.5 m80 -123.37 146.53 47.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.146 178.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 126.12 30.31 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.697 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -66.87 112.49 4.32 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.239 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' LEU . . . -95.49 128.6 9.58 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.534 178.567 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 92' ' ' LEU . 45.0 tp -121.7 113.91 20.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 27.4 m -100.58 104.18 15.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.611 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 24.5 m -101.28 142.09 33.2 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.751 0.31 . . . . 0.0 110.935 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.89 128.42 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.731 176.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.618 178.297 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 25' ' ' ARG . 20.6 mtt85 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.34 60.72 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 109.539 174.27 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 0.1 OUTLIER -130.61 145.76 51.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.974 179.352 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -76.07 19.83 0.22 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -173.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -108.05 -2.84 19.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.12 0.486 . . . . 0.0 110.0 174.019 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -95.72 143.19 25.7 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 178.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.61 -6.54 17.04 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.799 2.332 . . . . 0.0 111.933 179.297 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -103.64 4.46 35.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.527 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -69.15 118.62 12.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.145 0.498 . . . . 0.0 110.46 -176.466 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -98.15 102.4 14.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.65 -176.087 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.84 161.96 36.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.522 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 4.7 ptp180 -154.77 174.94 14.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.194 179.702 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 44' ' ' CYS . 63.6 mt -111.35 128.75 56.06 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 170.334 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.476 HG23 ' HB2' ' A' ' 49' ' ' GLU . 40.9 p -63.21 151.71 39.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 119.525 -0.274 . . . . 0.0 110.597 -176.215 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptp85 -46.86 -44.42 19.52 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.294 0.371 . . . . 0.0 111.509 -175.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t 43.2 -95.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.368 1.043 . . . . 0.0 112.535 171.298 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -114.76 -52.62 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 176.225 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 8.2 t -141.65 -176.55 4.8 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.015 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.34 -64.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -172.579 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.623 ' HA ' HD12 ' A' ' 37' ' ' LEU . 88.9 m -88.76 33.13 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.152 0.501 . . . . 0.0 111.706 -174.272 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.422 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 10.6 pt20 -159.54 78.92 0.72 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.413 175.414 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.41 -171.06 20.92 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.574 -176.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.453 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.8 mp0 -73.83 133.27 43.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -178.523 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.1 tp -70.21 111.15 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.175 -178.63 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' HG23 ' A' ' 38' ' ' THR . 38.2 tt0 -111.88 127.05 55.72 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.433 HG23 HD11 ' A' ' 52' ' ' LEU . 27.1 m -118.53 145.88 23.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.062 0.458 . . . . 0.0 111.005 -177.779 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -93.04 108.77 20.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.076 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.433 HD11 HG23 ' A' ' 50' ' ' VAL . 5.6 mp -95.13 -172.44 2.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.674 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.54 -5.24 35.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.754 0.311 . . . . 0.0 111.639 -176.016 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.36 29.75 3.61 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 178.354 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 117.37 -172.67 14.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.73 -1.224 . . . . 0.0 113.763 173.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 93.1 m95 -91.77 136.73 32.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -176.254 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -140.93 142.7 34.37 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 104' ' ' SER . 43.1 mtm -82.14 148.37 28.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.03 0.443 . . . . 0.0 110.418 177.083 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -91.34 138.15 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.585 -178.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 t -89.39 147.77 23.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.522 ' HA ' HD12 ' A' ' 128' ' ' LEU . 26.8 t -80.22 47.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.892 -178.288 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -157.37 69.89 0.58 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.114 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.4 m -141.71 154.98 45.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.549 -177.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 57.69 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.888 0.742 . . . . 0.0 110.977 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.08 31.43 1.96 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 176.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -113.44 119.32 37.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -177.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -78.09 170.36 16.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m -80.7 49.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.35 0.595 . . . . 0.0 111.006 -179.385 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -143.56 162.75 35.07 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.454 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -69.44 93.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.97 0.414 . . . . 0.0 110.016 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.57 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.64 -179.719 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.29 35.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -167.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.04 86.59 4.1 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -87.61 -18.28 2.55 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.559 2.173 . . . . 0.0 113.452 -175.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.467 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.4 p -70.16 -3.68 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -172.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -63.64 -28.55 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.123 0.487 . . . . 0.0 110.33 174.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.11 24.95 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.847 -177.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 p -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.296 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.623 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.4 mtpt -62.5 -28.28 69.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.479 -176.052 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -67.1 -45.25 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.9 m -64.16 -32.96 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.88 0.371 . . . . 0.0 110.335 177.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -67.93 -31.63 71.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.699 177.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 5.3 mmp_? -65.28 -33.25 75.53 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.468 177.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.2 2.11 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 63.09 47.24 4.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.563 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 58.1 m -123.43 170.24 10.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.178 175.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.426 ' HA3' ' HB2' ' A' ' 133' ' ' LEU . . . -72.3 -177.63 30.57 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.35 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.55 149.32 88.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.142 0.496 . . . . 0.0 111.348 -174.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 132' ' ' CYS . 31.9 Cg_endo -65.99 127.63 18.08 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.124 2.549 . . . . 0.0 113.209 -177.802 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.64 -34.23 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.988 178.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -143.59 135.57 26.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.745 -177.061 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 130' ' ' LEU . 56.6 tp -133.65 91.93 2.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.9 -152.08 8.96 Favored Glycine 0 C--O 1.222 -0.601 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -176.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.44 133.46 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.105 1.87 . . . . 0.0 112.367 -178.739 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.736 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.5 t80 -118.5 -63.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -176.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 90.7 mt -130.85 152.1 50.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.938 0.399 . . . . 0.0 110.645 -179.279 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -93.87 80.83 4.17 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.315 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.7 m -74.26 -36.94 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.151 -177.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.4 t80 57.02 79.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.552 0.692 . . . . 0.0 110.858 179.227 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.7 m -125.42 97.46 36.88 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 177.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.93 -43.56 35.07 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 124.189 3.259 . . . . 0.0 114.397 -170.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -87.65 -34.18 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.864 0.364 . . . . 0.0 111.325 -176.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 t -98.86 57.26 1.11 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.295 0.569 . . . . 0.0 110.641 -178.084 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' MET . 17.5 p -154.59 124.56 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.002 172.758 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.1 pt -129.87 153.58 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.236 0.541 . . . . 0.0 111.921 -175.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.23 118.58 59.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.461 172.347 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.9 t -110.58 159.06 17.89 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.313 -172.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.01 175.39 8.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.93 -176.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.63 -156.95 20.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.542 -179.422 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -67.63 137.84 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.708 0.29 . . . . 0.0 110.759 177.371 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.69 106.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.708 179.151 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 121.36 -13.4 9.5 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.801 178.735 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -96.24 124.34 40.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.426 178.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.456 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.8 m-85 -106.53 36.19 2.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.282 0.563 . . . . 0.0 110.156 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 m -91.78 -10.61 39.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.287 -177.498 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -141.22 74.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.09 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 13.2 m -114.2 151.64 32.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.782 -176.821 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.1 m -119.95 160.52 22.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.919 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -73.37 135.22 44.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.026 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -63.61 121.22 13.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.148 0.499 . . . . 0.0 111.785 -172.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 121' ' ' ARG . 13.2 tpp85 -114.77 32.77 5.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.224 1.012 . . . . 0.0 108.671 174.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -115.92 122.43 45.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.959 -176.145 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -77.62 -35.82 52.34 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 111.409 -176.81 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -85.54 28.23 0.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.201 0.524 . . . . 0.0 110.113 177.668 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 42.8 t -69.24 82.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.556 179.37 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -73.48 111.2 8.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -54.71 139.56 38.68 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -173.646 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.1 tt -81.32 129.7 34.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.561 -173.771 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.736 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -120.62 129.42 7.86 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.666 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.871 HD13 HD13 ' A' ' 92' ' ' LEU . 56.0 tp -97.97 113.23 25.01 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 178.233 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 10.1 m -98.13 101.85 13.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.382 -179.161 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 22.4 m -98.5 158.99 15.25 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.426 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 30.6 mt -64.93 91.16 0.09 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.079 174.191 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.591 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 42.3 tt0 . . . . . 0 C--O 1.252 1.217 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.139 -177.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.188 0.518 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -108.49 104.41 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.254 -179.44 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 29' ' ' TYR . 52.6 p -103.22 150.44 23.7 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.254 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -75.5 22.49 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.528 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 80.0 m-85 -110.33 -14.17 14.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.898 173.901 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -72.93 134.0 81.51 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 -179.203 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.13 -13.87 34.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.827 2.351 . . . . 0.0 112.4 -177.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -106.11 14.69 27.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.826 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -79.97 120.91 24.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.395 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.865 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -89.82 107.16 18.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -175.685 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.79 154.75 35.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.018 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH1' HH11 ' A' ' 39' ' ' ARG . 6.5 ptm180 -155.39 167.29 30.86 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.74 177.251 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 130' ' ' LEU . 94.6 mt -97.43 129.46 44.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 172.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.8 p -60.9 156.58 17.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.62 0.724 . . . . 0.0 111.764 -175.003 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.592 ' H ' ' CD ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -79.69 43.41 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.972 -176.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.48 -68.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.607 -176.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -116.53 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.363 -176.143 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.419 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 15.2 m -129.45 153.92 47.48 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.323 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -66.97 -10.84 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.169 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 1.043 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.0 t -132.37 28.37 4.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.474 0.654 . . . . 0.0 109.938 175.184 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HG3' ' HB2' ' A' ' 42' ' ' SER . 41.6 mt-30 -146.92 103.68 3.64 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.65 176.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -152.46 10.57 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.361 -0.924 . . . . 0.0 112.228 -178.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.8 143.74 30.62 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.316 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -74.7 101.9 4.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.104 0.478 . . . . 0.0 109.814 174.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -102.21 122.48 44.27 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.418 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.47 150.4 29.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -172.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.497 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 2.0 t80 -107.52 106.24 16.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 174.477 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -101.31 -76.07 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.099 -178.294 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -126.58 -50.39 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 -177.331 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.91 -71.34 0.28 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.993 179.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 51' ' ' TYR . . . -166.12 -142.06 3.32 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.35 106.91 18.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.91 0.386 . . . . 0.0 110.349 178.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -118.61 151.76 37.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.408 ' HE1' HG21 ' A' ' 98' ' ' THR . 47.6 mtp -88.15 131.1 34.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.605 -176.576 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -80.81 129.47 37.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.859 0.362 . . . . 0.0 110.586 178.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.05 140.29 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.4 p -64.15 -18.69 64.69 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -172.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -94.14 44.41 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.401 0.62 . . . . 0.0 111.086 -178.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.2 m -99.37 159.45 15.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.77 175.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 57.94 30.62 19.42 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.853 0.461 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.27 11.83 64.98 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.87 179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.4 141.6 36.71 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.48 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 7.6 t -92.64 155.61 17.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.02 -178.681 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 55.2 m -71.2 76.37 0.7 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.736 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -146.08 170.94 15.65 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -85.18 111.96 20.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.48 ' HZ2' ' H ' ' A' ' 67' ' ' SER . 77.5 m95 -91.57 128.11 37.28 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -96.08 54.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.595 0.712 . . . . 0.0 110.227 -175.229 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 5.2 t70 -146.8 58.63 4.5 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.4 173.72 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 89' ' ' PRO . 2.8 Cg_exo -76.63 -7.29 17.6 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.982 2.455 . . . . 0.0 111.916 -175.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 p -59.3 -19.7 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.709 179.602 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -66.6 -17.66 64.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 177.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.15 19.08 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.872 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -57.48 -39.57 76.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 17.1 tppt? -53.06 -46.27 68.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.513 177.737 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.09 -48.6 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 -177.571 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -61.14 -41.61 97.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.02 0.438 . . . . 0.0 110.687 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -69.53 -32.83 71.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.778 -177.83 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 6.2 mmp_? -65.96 -28.64 69.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.993 0.425 . . . . 0.0 110.615 176.861 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.439 HD21 ' H ' ' A' ' 37' ' ' LEU . 9.8 mp -89.84 13.1 15.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.969 177.51 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 63.08 35.74 12.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.7 0.762 . . . . 0.0 110.931 179.269 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 65.7 m -112.72 170.13 8.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.243 176.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.28 -134.33 1.3 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.197 179.609 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -87.01 156.68 54.85 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-O 120.759 0.314 . . . . 0.0 110.692 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.66 ' HB2' ' HB2' ' A' ' 74' ' ' PRO . 7.6 Cg_exo -70.09 121.01 7.64 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.891 2.394 . . . . 0.0 112.116 179.226 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -81.2 -34.46 32.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.728 -178.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 p -165.46 149.73 8.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -178.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.923 HD12 HD13 ' A' ' 130' ' ' LEU . 9.7 tt -146.72 132.51 18.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.447 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.56 -160.4 29.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.366 -179.586 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.37 111.79 3.33 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.869 2.38 . . . . 0.0 111.651 178.444 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.744 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 79.0 t80 -106.91 123.36 48.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -177.281 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.3 tp 70.42 154.98 0.13 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.822 0.82 . . . . 0.0 111.827 173.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HG2' ' HE1' ' A' ' 126' ' ' HIS . 94.4 mttt -96.82 79.88 2.98 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 170.513 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.408 HG21 ' HE1' ' A' ' 58' ' ' MET . 0.2 OUTLIER -67.3 -32.22 73.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.513 -171.412 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.603 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 25.9 m-85 62.81 13.71 6.73 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.81 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.414 ' O ' ' HB3' ' A' ' 125' ' ' CYS . 22.0 m -88.0 108.46 21.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.523 -174.615 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 94.7 Cg_endo -105.75 41.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.969 3.113 . . . . 0.0 111.595 173.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -139.16 -75.49 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 m -82.12 13.63 3.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.115 0.484 . . . . 0.0 111.406 -176.141 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.7 p -108.42 149.6 28.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.023 -179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.5 pt -128.95 145.46 35.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.222 0.534 . . . . 0.0 111.6 -179.164 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 57.3 mt -106.8 120.08 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.349 -0.842 . . . . 0.0 108.758 173.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 72.8 m -97.42 141.94 29.88 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.93 0.395 . . . . 0.0 111.01 -178.277 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -117.45 168.48 10.34 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 115.86 -123.04 5.75 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.149 -179.432 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -122.71 144.13 49.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -177.057 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.61 116.89 2.52 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.486 0.491 . . . . 0.0 111.629 -178.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.6 -14.44 46.37 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.158 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -103.55 116.86 33.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.199 0.523 . . . . 0.0 111.312 -177.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -97.38 48.24 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 p -66.41 -52.32 47.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.488 -176.56 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -139.55 111.22 7.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.947 0.403 . . . . 0.0 110.291 178.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 62.4 m -111.24 159.41 17.94 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.954 178.312 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 p -137.61 154.78 49.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.712 0.292 . . . . 0.0 110.99 -177.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -51.2 128.96 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.75 177.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.4 t -67.98 97.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -177.082 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -93.51 79.72 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.72 178.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -142.34 168.32 20.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 177.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -73.18 -45.18 57.9 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.154 0.502 . . . . 0.0 110.517 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.1 ptm -143.58 99.64 3.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.283 0.563 . . . . 0.0 110.773 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 100' ' ' THR . 5.6 t -77.2 141.34 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.007 178.482 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.614 ' HE1' ' HG2' ' A' ' 97' ' ' LYS . 84.0 m-70 -103.23 122.22 44.31 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 171.48 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 p -70.54 138.2 50.76 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.043 -179.259 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 40.9 tp -69.26 114.17 7.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -98.86 126.82 9.04 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.905 -178.076 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.923 HD13 HD12 ' A' ' 92' ' ' LEU . 60.7 tp -119.61 124.72 47.01 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 62.2 m -112.69 108.76 17.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.059 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 40.0 m -104.3 153.19 21.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.694 0.283 . . . . 0.0 110.389 -178.302 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.43 98.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 1.043 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 43.5 mt-10 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.896 -176.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 25' ' ' ARG . 8.3 mmm180 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.745 0.307 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.0 mt -111.56 70.96 0.73 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.105 0.478 . . . . 0.0 109.811 174.476 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 23.9 m -85.37 142.11 29.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.315 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -75.44 22.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.21 0.529 . . . . 0.0 111.878 -178.514 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' H ' ' C ' ' A' ' 27' ' ' SER . 61.9 m-85 -108.79 -19.11 13.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.136 172.457 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -75.22 151.71 85.87 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.358 -172.715 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.64 -51.93 7.21 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.814 2.343 . . . . 0.0 112.916 -176.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -85.2 17.87 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.115 -172.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 81.1 t80 -86.56 122.19 30.15 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.037 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -114.81 137.58 51.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.55 150.69 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.165 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.41 142.27 47.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.196 0.522 . . . . 0.0 110.674 -177.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 130' ' ' LEU . 78.6 mt -101.48 125.88 48.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.0 p -62.9 156.25 24.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.464 -176.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -73.13 56.05 0.44 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.211 0.529 . . . . 0.0 111.548 179.863 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 m -62.11 -55.4 29.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.72 177.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -145.38 -81.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.969 175.199 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -97.3 155.61 16.8 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 173.018 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.671 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -95.42 26.31 3.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -170.597 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 91.5 m -120.53 15.95 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 167.31 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -156.13 146.95 22.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.617 179.198 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.519 ' HA2' ' CE2' ' A' ' 95' ' ' PHE . . . 142.22 -169.87 25.23 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.253 176.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -61.77 137.87 58.28 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.461 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.9 tp -96.7 116.87 29.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -176.019 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -112.97 135.25 53.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.365 171.568 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.86 153.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.959 -177.327 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -86.59 102.1 13.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.088 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD13 ' A' ' 105' ' ' ILE . 79.1 mt -89.42 -177.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.131 178.132 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 35.6 ttpt -56.93 -38.19 72.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.958 0.409 . . . . 0.0 110.984 178.62 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -99.07 5.48 46.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.836 -175.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.18 -167.63 14.74 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.242 -0.98 . . . . 0.0 113.624 176.027 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.407 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.7 m95 -73.83 134.3 43.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.764 0.316 . . . . 0.0 111.557 -175.268 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -146.52 155.86 42.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' HG12 ' A' ' 105' ' ' ILE . 81.6 mtp -87.51 139.34 30.65 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.283 -174.73 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 134.57 29.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.556 179.192 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.805 ' SG ' ' HB2' ' A' ' 104' ' ' SER . 84.2 m -97.48 149.68 21.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.869 0.366 . . . . 0.0 111.178 177.075 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.676 ' HA ' HD12 ' A' ' 128' ' ' LEU . 13.7 m -79.02 44.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 178.373 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.53 HE22 ' HA ' ' A' ' 67' ' ' SER . 24.3 tp60 -145.14 35.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 178.418 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -112.64 149.52 32.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.51 -172.153 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.77 20.76 9.56 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.309 0.644 . . . . 0.0 112.734 176.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.93 -2.9 82.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.34 -178.587 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 71' ' ' TRP . 6.8 mmm180 -73.76 116.28 14.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 174.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.53 ' HA ' HE22 ' A' ' 62' ' ' GLN . 10.1 t -73.96 173.27 10.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.265 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 p -73.77 68.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.052 0.453 . . . . 0.0 111.969 -173.399 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -167.4 166.94 14.21 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -78.94 133.52 36.89 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 175.304 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 66' ' ' ARG . 87.0 m95 -110.3 172.45 6.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.611 -178.068 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -82.39 -3.9 56.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 -164.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.486 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t0 -124.22 90.1 51.15 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.345 179.326 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -97.63 -11.9 0.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.072 2.515 . . . . 0.0 113.307 177.14 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 2.2 p -76.19 -7.34 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.703 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.486 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 13.4 mm100 -58.93 -24.81 62.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.874 0.368 . . . . 0.0 111.503 177.32 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.18 26.15 4.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.636 -174.803 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -57.61 -43.87 85.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.646 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.17 -31.76 71.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.775 -177.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.11 -55.59 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.141 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.3 m -59.72 -41.57 91.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.512 -179.571 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.55 -42.39 99.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.873 -179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -33.48 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.828 0.347 . . . . 0.0 110.292 -179.166 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 mp -85.44 8.11 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.069 178.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 m120 63.63 37.72 10.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.195 177.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.5 m -114.76 173.27 6.56 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.19 -163.6 38.33 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.77 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 3.6 m-20 -58.41 152.37 44.31 Favored Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 122.831 0.452 . . . . 0.0 111.709 -177.282 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 2.5 Cg_endo -77.93 115.17 3.75 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.957 2.438 . . . . 0.0 111.874 178.599 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 133' ' ' LEU . 2.1 tt -80.62 -43.29 20.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.925 -178.075 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.1 m -147.27 142.99 27.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.286 -175.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 130' ' ' LEU . 33.5 tp -136.96 100.86 4.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.194 176.693 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -172.58 -157.29 14.04 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.643 -176.071 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.74 128.07 20.16 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.5 2.133 . . . . 0.0 112.164 -179.572 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' CE2' ' HA2' ' A' ' 46' ' ' GLY . 42.1 t80 -132.13 98.37 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.629 179.507 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.8 mt 72.68 149.04 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 O-C-N 124.014 0.822 . . . . 0.0 111.402 -179.539 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 77.85 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.4 m -70.87 -28.59 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -177.009 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 55.49 79.8 0.15 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.037 0.446 . . . . 0.0 111.757 177.533 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m -138.18 79.51 31.41 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.101 177.552 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.58 62.62 7.15 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.434 2.756 . . . . 0.0 112.572 -175.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -154.98 -56.48 0.1 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.249 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 t -85.07 -5.2 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.219 0.533 . . . . 0.0 110.002 178.387 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.805 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . 33.9 p -82.45 136.85 34.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -178.279 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.843 HD13 HD11 ' A' ' 52' ' ' LEU . 47.0 pt -125.94 152.65 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.382 0.611 . . . . 0.0 111.542 -178.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.2 121.85 63.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 2.6 t -108.64 151.87 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.287 -172.882 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -127.89 147.88 50.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.671 -179.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.05 -124.1 3.66 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.097 -177.751 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -101.54 134.81 44.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.543 -178.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.52 109.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -178.88 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.39 -7.18 26.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.618 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 8.5 t -115.92 119.43 35.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.168 0.509 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.86 62.2 6.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.657 0.741 . . . . 0.0 109.469 177.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.1 m -81.97 -67.82 0.75 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.242 -176.89 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -112.83 84.69 2.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.293 0.568 . . . . 0.0 109.654 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 15.6 m -101.43 144.95 29.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.414 -178.016 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.3 m -110.06 145.98 36.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -81.74 123.24 28.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.318 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.6 t -99.42 128.57 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 111.956 -170.119 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -110.74 42.06 1.67 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 175.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.495 ' HB3' ' HG2' ' A' ' 124' ' ' MET . 50.6 m-80 -121.45 142.29 50.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 -178.524 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.32 -13.19 59.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.426 179.263 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.495 ' HG2' ' HB3' ' A' ' 122' ' ' ASN . 26.9 ptm -83.02 14.17 3.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.172 0.51 . . . . 0.0 110.604 178.297 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 80.61 9.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.169 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -58.46 129.17 40.79 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.909 179.541 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.4 m -68.24 127.1 31.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.549 -178.646 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 61' ' ' SER . 9.3 tt -94.8 136.91 34.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.887 0.375 . . . . 0.0 110.078 -178.082 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.431 ' HA3' ' CB ' ' A' ' 95' ' ' PHE . . . -133.82 153.33 20.83 Favored Glycine 0 N--CA 1.442 -0.957 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.337 -179.261 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 92' ' ' LEU . 60.0 tp -114.77 134.43 55.11 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 22.4 m -113.1 98.7 7.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.658 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 21.6 m -92.9 141.78 28.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.251 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 90' ' ' LEU . 87.0 mt -67.33 147.4 53.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 -179.402 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.435 174.952 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 114' ' ' PHE . 2.8 tt -93.78 82.39 4.3 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -176.833 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 29' ' ' TYR . 13.1 p -111.48 165.42 12.0 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 -177.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.05 25.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.245 0.545 . . . . 0.0 111.824 178.189 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.2 m-85 -130.4 25.86 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.739 172.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.78 149.32 36.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.908 174.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.09 -8.73 22.58 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 123.28 2.653 . . . . 0.0 113.325 -173.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -113.88 10.21 17.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.796 0.332 . . . . 0.0 110.989 179.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -78.58 129.93 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.375 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -127.63 132.52 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.077 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -144.32 156.15 44.13 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.83 157.21 43.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.123 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 44' ' ' CYS . 83.5 mt -105.86 144.28 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.027 178.742 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -78.84 171.33 15.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.729 -172.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -73.04 56.84 0.45 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.226 177.178 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -78.11 -56.37 4.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.98 -178.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.93 -44.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.296 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 -179.706 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 3.4 mmmp? -73.1 -20.52 60.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -164.716 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 1.038 ' HB3' ' HG2' ' A' ' 134' ' ' GLU . 9.1 t -122.53 30.54 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.367 0.603 . . . . 0.0 111.145 -177.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.61 115.92 3.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 175.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.41 -155.26 25.76 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.562 179.172 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -77.79 136.87 38.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -178.575 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.9 tp -86.52 112.09 21.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 0.0 111.011 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -104.68 132.7 50.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.016 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG23 ' HG ' ' A' ' 52' ' ' LEU . 27.6 m -119.18 150.1 21.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -178.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -89.47 106.85 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.15 178.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' HG23 ' A' ' 50' ' ' VAL . 88.7 mt -125.8 -158.36 0.84 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.075 -179.528 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -58.21 -30.81 66.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.247 0.546 . . . . 0.0 110.961 -178.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -98.46 22.11 10.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.253 -178.094 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.89 -143.39 29.91 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.615 -0.803 . . . . 0.0 111.878 -179.348 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 97.8 m95 -82.03 117.65 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.782 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.86 149.57 49.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.134 0.493 . . . . 0.0 111.361 -177.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.6 mtp -80.24 124.75 29.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.665 -176.713 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.9 126.07 39.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 0.0 110.204 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -85.34 135.8 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.681 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.428 ' HA ' HD13 ' A' ' 128' ' ' LEU . 16.9 m -59.59 -20.7 57.65 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -171.627 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -88.02 48.75 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.347 0.594 . . . . 0.0 110.377 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.4 m -108.65 160.35 16.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.38 -178.392 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 56.97 -96.56 0.06 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.807 178.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.6 36.62 1.25 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.539 HH21 HD21 ' A' ' 111' ' ' LEU . 21.2 mmt180 -85.8 132.87 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.884 0.374 . . . . 0.0 110.198 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -76.83 160.69 29.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.866 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.1 m -77.86 61.55 2.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.576 0.703 . . . . 0.0 110.067 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -157.12 151.78 25.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.044 -176.147 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.11 84.95 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.96 138.89 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 38.4 mt-10 -83.97 68.87 10.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.36 0.6 . . . . 0.0 111.775 -175.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.477 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 29.7 t70 -129.78 58.95 41.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.353 -0.84 . . . . 0.0 108.916 168.742 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.535 ' HD3' ' C ' ' A' ' 72' ' ' GLU . 61.0 Cg_endo -96.2 -16.53 0.37 Allowed 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 122.892 2.395 . . . . 0.0 113.64 -173.133 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.453 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.9 m -65.53 -5.3 7.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.339 -175.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -65.9 -23.77 66.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.259 176.267 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.47 22.82 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -176.358 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.7 m -58.5 -41.69 85.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.807 -178.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -65.93 -30.35 70.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.607 0.242 . . . . 0.0 110.93 -177.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.2 -53.79 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 12.7 m -59.52 -39.4 83.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.178 178.555 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -62.85 -39.64 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.229 -178.457 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.623 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -73.25 -21.44 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.58 179.471 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.35 9.42 26.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.586 174.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 65.19 41.27 4.55 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 61.4 m -115.11 177.81 4.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.9 -141.09 9.14 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.856 176.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.82 150.07 81.1 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.023 0.439 . . . . 0.0 110.951 -179.595 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 55.7 Cg_endo -78.2 116.0 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.019 2.479 . . . . 0.0 111.653 175.48 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.5 -48.54 16.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.069 -175.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.408 ' OG ' ' HB ' ' A' ' 131' ' ' THR . 5.6 p -135.69 146.1 47.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.024 -175.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 128' ' ' LEU . 5.3 tt -151.1 95.35 2.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 -161.07 29.55 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.083 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.53 114.05 1.7 Allowed 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.681 2.254 . . . . 0.0 111.683 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.693 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 15.2 t80 -118.81 -43.79 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.889 -174.173 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.597 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -133.58 145.17 49.82 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -172.294 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 97.9 mttt -91.15 77.77 5.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.737 175.106 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 p -82.65 -48.72 10.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.88 -175.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 71.3 m-85 54.47 57.1 6.1 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.565 0.541 . . . . 0.0 110.853 -178.02 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.0 m -114.02 84.16 8.6 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.127 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 4.6 Cg_exo -79.84 37.58 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.45 2.767 . . . . 0.0 113.461 -172.144 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -120.78 -48.09 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.074 0.464 . . . . 0.0 110.501 176.577 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 p -105.78 7.27 32.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.725 -176.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.9 p -94.88 142.56 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.039 0.447 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.7 pt -132.46 149.3 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.794 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.92 118.68 59.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 173.477 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 t -105.0 157.35 17.28 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.754 -170.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -130.83 168.01 17.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.691 -179.304 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 118.34 -151.18 17.95 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -176.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.03 144.97 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.397 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD21 HH21 ' A' ' 66' ' ' ARG . 6.1 tt -59.51 102.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.984 0.421 . . . . 0.0 110.2 -178.485 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.64 -10.78 12.45 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.885 -178.276 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -100.07 120.91 40.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.15 0.5 . . . . 0.0 110.354 -179.116 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.611 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 98.7 m-85 -96.46 41.13 1.11 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.105 -179.9 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 26.0 t -63.44 -52.03 63.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.891 -176.263 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -132.38 104.6 6.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 4.6 m -110.79 140.32 45.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.784 177.208 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.0 t -110.37 156.45 20.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.028 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -66.88 130.95 44.84 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.9 t -61.68 121.27 12.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.49 0.494 . . . . 0.0 111.064 -172.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -137.1 68.57 1.42 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.915 -177.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -137.9 164.86 27.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -177.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -60.08 -51.03 71.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.163 0.506 . . . . 0.0 110.604 179.359 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.7 ptp -117.65 141.21 48.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.917 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 45.6 t -138.58 115.14 10.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -103.43 130.31 50.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.08 179.099 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 61.6 m -64.0 133.44 53.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.109 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 61' ' ' SER . 26.2 tp -66.04 107.51 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.48 178.022 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -88.69 122.25 6.31 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.352 -176.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 56.5 tp -110.37 118.78 37.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.408 ' HB ' ' OG ' ' A' ' 91' ' ' SER . 85.5 m -117.29 110.78 18.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.662 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.694 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 7.2 m -109.77 147.82 32.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.058 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.26 115.28 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 176.325 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 1.038 ' HG2' ' HB3' ' A' ' 44' ' ' CYS . 40.5 mt-10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.235 -176.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -48.78 109.07 0.21 Allowed 'General case' 0 C--O 1.225 -0.206 0 O-C-N 124.018 0.824 . . . . 0.0 112.107 -172.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 20.0 m -129.61 153.54 47.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.391 176.322 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -74.62 28.49 0.08 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.493 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' H ' ' C ' ' A' ' 27' ' ' SER . 81.5 m-85 -123.86 -12.03 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.687 173.374 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.5 143.5 97.13 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.193 -175.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -49.63 -51.41 10.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.013 2.475 . . . . 0.0 112.342 -176.636 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -97.58 32.45 2.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.639 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 67.7 t80 -74.37 101.72 4.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 172.663 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -86.24 114.66 23.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.789 -176.036 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.64 159.37 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.54 -179.315 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 49' ' ' GLU . 2.1 ptp180 -154.16 176.3 12.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.099 -179.001 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 130' ' ' LEU . 93.1 mt -109.64 121.29 44.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 167.639 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 22.7 p -45.17 -87.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -169.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HD2' ' HB ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -148.39 -76.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.156 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.5 m 67.73 -81.31 0.03 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.217 -0.901 . . . . 0.0 112.489 171.091 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -172.12 -48.25 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 111.446 -173.253 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 31.7 m -101.46 158.19 16.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.798 -178.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -75.02 -38.18 61.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.42 -175.475 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.633 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 74.0 m -117.26 16.82 14.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.045 0.45 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.743 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 13.1 mt-30 -138.64 100.35 4.05 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.678 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.3 -171.53 38.0 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.983 -1.103 . . . . 0.0 113.031 -176.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.53 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 15.4 mt-30 -67.75 131.67 46.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 122.391 0.277 . . . . 0.0 110.926 -179.783 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.33 129.62 36.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.925 0.393 . . . . 0.0 110.735 178.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 36' ' ' ARG . 37.6 tt0 -128.58 130.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.152 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.8 m -123.57 154.62 29.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.811 0.338 . . . . 0.0 110.973 -177.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -97.45 95.9 7.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.782 -179.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD11 HD13 ' A' ' 105' ' ' ILE . 84.2 mt -80.78 -174.13 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.491 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.95 -37.16 83.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.022 0.439 . . . . 0.0 110.06 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.92 -33.44 75.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.994 176.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 -167.49 23.75 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.298 -177.537 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -62.19 124.28 20.45 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 122.365 0.266 . . . . 0.0 110.982 -179.23 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -140.77 149.01 41.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 178.822 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 72.0 mtp -79.22 141.61 36.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.638 -177.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -89.34 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.915 0.388 . . . . 0.0 110.091 177.337 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.3 t -103.17 149.94 24.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.242 -177.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.0 p -60.45 -23.4 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -170.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -77.51 8.82 3.83 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -175.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.6 m -76.58 147.92 37.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 -178.117 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 59.51 21.67 10.19 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.566 0.746 . . . . 0.0 112.291 174.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.76 21.47 79.67 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.471 179.473 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -72.98 146.65 45.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.312 0.577 . . . . 0.0 110.674 178.128 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 p -90.45 153.02 20.7 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.791 174.646 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.5 m -79.32 43.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.337 0.589 . . . . 0.0 111.129 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -143.86 161.87 37.55 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 177.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -78.44 97.61 5.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.862 0.363 . . . . 0.0 110.981 -174.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -81.55 173.44 12.38 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -89.64 35.16 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -169.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 38.0 t70 -152.26 62.43 4.57 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-O 121.369 0.604 . . . . 0.0 110.162 177.843 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' HB2' ' H ' ' A' ' 92' ' ' LEU . 43.3 Cg_endo -103.57 16.38 0.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.044 2.496 . . . . 0.0 113.583 -176.161 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.636 ' HA ' ' HB2' ' A' ' 89' ' ' PRO . 46.3 m -117.28 16.03 14.84 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -89.01 69.97 8.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.733 177.172 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.31 29.49 0.07 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.524 178.527 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.3 m -58.29 -45.92 87.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.085 -175.646 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.612 ' HE3' ' HG3' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -54.61 -37.62 65.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.344 179.405 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.22 -52.77 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.846 0.355 . . . . 0.0 110.11 -179.577 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.98 -42.24 93.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.194 179.049 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.3 -39.78 89.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.561 0.22 . . . . 0.0 111.293 -175.875 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.612 ' HG3' ' HE3' ' A' ' 79' ' ' LYS . 25.1 mmt180 -71.47 -12.41 61.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.827 0.346 . . . . 0.0 111.388 -179.867 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -98.39 6.24 47.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.991 0.424 . . . . 0.0 110.329 173.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.2 t30 58.52 49.61 10.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.344 -176.229 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.59 168.77 13.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.986 -179.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.38 -175.91 49.48 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.762 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -60.57 156.58 42.5 Favored Pre-proline 0 C--N 1.327 -0.393 0 C-N-CA 122.513 0.325 . . . . 0.0 110.975 -177.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 75' ' ' SER . 3.5 Cg_exo -73.71 110.07 2.99 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.781 2.321 . . . . 0.0 112.113 -179.734 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.29 -43.67 66.67 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.021 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.6 m -152.2 137.96 17.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.639 -177.122 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 130' ' ' LEU . 55.3 tp -131.49 103.29 6.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 174.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -174.05 -161.31 23.87 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.989 -176.496 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -64.91 100.12 0.35 Allowed 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 111.823 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.795 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.1 t80 -92.44 -39.26 11.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.051 0.453 . . . . 0.0 110.259 -177.588 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.591 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 95.7 mt -137.57 150.05 47.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.418 -177.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -103.99 57.02 0.72 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.205 0.526 . . . . 0.0 109.909 176.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.3 m -64.09 -23.94 67.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.547 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 49.47 55.64 9.05 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.681 0.613 . . . . 0.0 111.576 171.438 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -120.88 79.87 32.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.106 179.554 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.51 33.56 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.415 2.743 . . . . 0.0 112.813 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -113.98 -48.84 2.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.27 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.7 m -98.87 1.41 45.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.649 -177.178 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.4 p -98.17 153.04 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.572 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 52' ' ' LEU . 31.9 pt -125.52 149.18 30.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 120' ' ' SER . 95.7 mt -124.41 112.89 34.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.396 177.174 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 64.0 m -87.99 114.86 25.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.031 0.443 . . . . 0.0 111.289 -176.713 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -102.01 91.95 4.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.67 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.78 -152.29 10.0 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.502 -0.856 . . . . 0.0 111.957 -178.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -63.68 138.07 58.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.699 0.294 . . . . 0.0 110.68 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.22 107.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.867 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 113.91 -15.14 21.48 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.097 -178.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -93.88 129.53 40.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.397 0.618 . . . . 0.0 111.265 -179.767 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -106.72 44.88 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.593 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.3 t -91.69 -56.55 3.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.927 -176.196 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.26 75.98 2.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.056 -178.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 33.6 m -111.41 107.73 17.06 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.225 0.536 . . . . 0.0 110.736 -178.78 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -88.49 151.07 22.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.532 -179.737 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -73.91 68.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.575 ' HA ' HD12 ' A' ' 106' ' ' ILE . 8.7 t 56.88 82.52 0.11 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.747 173.418 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 121' ' ' ARG . 15.9 mmt85 -114.03 59.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.439 0.638 . . . . 0.0 110.626 178.821 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.71 171.03 14.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.29 -58.47 7.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.171 178.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 21.3 ptp -99.26 163.79 12.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.743 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 39.0 t -157.57 110.12 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.521 175.414 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -106.35 139.36 40.96 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.595 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 m -67.15 117.18 8.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.18 -179.044 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 22.4 tp -71.76 109.37 5.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.832 -179.248 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.795 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -97.89 126.79 9.0 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.996 -178.863 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.704 HD13 HD13 ' A' ' 92' ' ' LEU . 53.0 tp -100.27 114.32 27.7 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.513 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.4 m -99.96 90.35 4.38 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.42 -178.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 26.3 m -80.86 137.41 36.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.666 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.21 102.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -176.034 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HG3' ' HB2' ' A' ' 44' ' ' CYS . 35.0 mt-10 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.037 168.327 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' H ' ' HB2' ' A' ' 115' ' ' SER . 94.8 mt -133.73 66.46 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 179.172 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 19.3 m -92.95 149.74 21.04 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -179.432 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.25 20.1 0.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.23 0.538 . . . . 0.0 111.252 -179.101 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.41 ' H ' ' C ' ' A' ' 27' ' ' SER . 56.6 m-85 -106.34 -13.68 15.31 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.479 173.547 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.02 134.99 80.49 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.517 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.28 -15.04 35.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 123.103 2.535 . . . . 0.0 112.879 -175.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.14 4.53 39.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.095 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -76.3 143.47 40.84 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 49.7 mt-30 -120.79 133.24 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.916 -176.112 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.497 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -152.54 153.11 32.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.479 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -140.13 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.4 mt -112.22 127.2 55.89 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 172.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 37.6 p -69.83 168.22 15.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.655 -176.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.841 ' HD2' ' H ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -47.76 -68.31 0.2 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.842 0.714 . . . . 0.0 110.793 -176.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.8 m 48.35 -99.03 0.05 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.813 0.696 . . . . 0.0 112.021 176.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -106.97 -53.72 2.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' OE1' ' A' ' 134' ' ' GLU . 69.0 m -139.67 159.74 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.456 -179.735 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -69.88 -2.25 11.79 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.364 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 7.4 t -137.95 24.01 2.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.822 0.82 . . . . 0.0 109.229 174.764 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 19.1 mt-30 -145.89 89.45 1.9 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.666 178.438 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.65 -163.79 30.48 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.387 -176.467 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.554 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 22.4 mt-30 -61.16 136.49 58.08 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.76 0.329 . . . . 0.0 110.979 -179.81 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.1 tp -89.89 119.73 30.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.963 -178.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -113.26 129.4 56.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.514 171.267 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.79 151.88 13.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.448 -179.316 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 71.3 t80 -92.61 109.95 21.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.374 -178.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.4 mt -104.74 -173.77 2.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 174.727 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 53' ' ' LYS . 4.4 tmmm? -56.86 -37.36 71.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.085 0.469 . . . . 0.0 109.814 174.41 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.18 9.91 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.732 -179.272 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.29 -154.15 21.33 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.676 177.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.497 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 95.1 m95 -80.67 128.9 34.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.896 0.379 . . . . 0.0 111.262 -175.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -135.16 137.63 42.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.98 128.65 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.798 176.592 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.27 133.78 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.269 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.25 146.42 25.66 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' HD13 ' A' ' 128' ' ' LEU . 87.8 p -63.21 -26.47 68.81 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -170.199 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -85.48 41.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.738 -174.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -101.61 141.99 33.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.042 -179.204 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 60.48 -88.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.047 177.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.44 34.97 1.36 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.051 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.027 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.1 p -129.9 -155.79 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 -174.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.6 t -84.59 -12.92 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 177.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -101.98 125.79 48.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -63.57 137.51 58.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.394 -176.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -87.58 163.36 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 176.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -86.39 12.23 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -169.287 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -152.02 111.7 2.88 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.981 0.42 . . . . 0.0 111.431 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 68.3 Cg_endo -100.81 13.8 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.696 2.931 . . . . 0.0 112.43 175.013 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 m -81.76 33.88 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -170.366 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.6 -5.02 14.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 110.588 177.709 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.49 17.9 17.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 111.06 -177.689 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -55.72 -37.35 68.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.624 -178.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -64.26 -31.81 73.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.998 -179.181 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.08 -45.74 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.073 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.6 m -59.66 -40.52 87.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.118 175.368 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.264 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mmt-85 -65.19 -24.23 67.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.684 0.278 . . . . 0.0 111.552 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.68 4.86 53.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.939 0.4 . . . . 0.0 110.766 176.574 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 61.22 47.3 7.17 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.897 0.856 . . . . 0.0 110.32 179.734 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.9 m -117.45 -179.23 3.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.663 -178.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.1 -139.47 5.31 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.424 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.39 151.89 63.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 74' ' ' PRO . 55.6 Cg_endo -77.24 108.76 2.68 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.778 2.319 . . . . 0.0 111.709 174.106 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -77.9 -28.35 49.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.327 -177.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.3 m -149.51 147.29 28.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -177.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.652 ' HG ' HD13 ' A' ' 130' ' ' LEU . 1.9 tt -152.43 90.98 1.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -178.697 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.28 -155.44 15.94 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.476 -0.868 . . . . 0.0 111.755 -177.78 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.03 112.75 1.26 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.578 2.186 . . . . 0.0 111.879 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.848 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 52.3 t80 -106.94 -41.74 5.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.569 -179.252 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.606 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.0 mt -133.54 165.61 24.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.239 0.542 . . . . 0.0 111.149 -177.132 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -118.61 43.84 2.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.668 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 m -68.92 -44.26 73.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.365 -175.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 10.7 m-85 59.22 81.61 0.16 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 111.388 -179.36 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.9 m -106.65 88.26 3.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.918 176.472 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 86.1 Cg_endo -77.98 51.5 3.66 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.975 2.45 . . . . 0.0 113.055 -172.457 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.663 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 63.4 tp60 -160.83 -43.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.171 177.245 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -90.48 -26.1 19.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -178.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.1 p -79.54 143.76 34.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.062 0.458 . . . . 0.0 110.635 -176.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.9 pt -124.02 151.13 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.7 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 33.3 mt -117.34 124.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.236 175.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 60.7 m -99.66 145.86 27.13 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 -177.503 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -122.44 168.52 12.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 -176.315 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.12 -118.96 4.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.655 172.271 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -80.7 122.0 26.58 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.974 0.416 . . . . 0.0 111.944 -172.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 tp -56.78 124.87 19.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.382 179.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 95.83 -7.07 67.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 177.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 6.7 t -106.42 123.88 48.75 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.608 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -98.5 23.44 8.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.438 177.11 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.415 ' HB2' ' H ' ' A' ' 26' ' ' LEU . 11.7 t -69.16 -24.06 64.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.633 -177.438 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -139.93 88.15 2.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.267 0.556 . . . . 0.0 110.02 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 59.3 m -119.45 148.96 42.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.649 179.249 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.1 m -132.5 167.99 18.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.829 0.347 . . . . 0.0 111.043 -176.55 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.663 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 14.4 t-80 -62.69 131.02 47.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.014 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -63.91 104.05 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.867 -174.825 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -138.68 60.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.282 174.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -109.99 -176.78 3.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -59.85 -60.16 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.961 0.41 . . . . 0.0 111.041 -177.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.0 ptp -148.1 156.71 42.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 175.235 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.3 t -169.92 143.66 2.61 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 -174.66 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -116.66 164.68 14.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.637 0.256 . . . . 0.0 110.622 -174.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 47' ' ' GLN . 9.5 m -66.47 122.45 17.58 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.197 178.347 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' SER . 22.1 tp -74.18 122.7 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.189 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.848 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.92 130.74 9.09 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.445 -178.09 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.652 HD13 ' HG ' ' A' ' 92' ' ' LEU . 51.5 tp -107.66 125.04 50.86 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 176.617 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.4 m -107.63 95.61 5.82 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -177.723 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 36.7 m -98.82 137.47 37.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 90' ' ' LEU . 16.7 mt -61.3 117.5 5.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.822 179.046 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.455 ' OE1' ' HB3' ' A' ' 42' ' ' SER . 43.2 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.581 170.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 25' ' ' ARG . 31.4 mtt-85 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.179 0.514 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.05 132.84 47.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.437 176.433 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 40.9 m -143.64 156.94 44.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.173 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.542 ' O ' ' HB2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -77.46 34.5 0.17 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 0.0 111.747 -179.702 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' H ' ' C ' ' A' ' 27' ' ' SER . 38.9 m-85 -134.0 -2.93 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.676 173.632 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -78.6 138.16 58.74 Favored Pre-proline 0 C--O 1.232 0.169 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 179.027 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.01 -18.28 51.75 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.145 2.563 . . . . 0.0 113.167 -174.74 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -105.73 5.48 31.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.778 0.323 . . . . 0.0 111.164 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -69.98 129.86 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.75 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.617 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.3 mt-30 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.494 -179.406 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.74 156.45 43.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.474 178.483 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HD2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -149.44 161.71 41.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.959 -179.763 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 44' ' ' CYS . 93.0 mt -108.46 127.79 54.22 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.771 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 p -53.25 138.06 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.647 ' HD2' ' N ' ' A' ' 40' ' ' SER . 0.7 OUTLIER -46.24 -38.3 8.31 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.827 0.704 . . . . 0.0 112.868 -169.502 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.647 ' N ' ' HD2' ' A' ' 39' ' ' ARG . 36.2 t 45.41 -96.48 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.867 0.729 . . . . 0.0 111.611 175.034 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -132.78 -17.36 2.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.316 0.579 . . . . 0.0 109.533 173.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 11.4 t -151.94 141.81 22.01 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.28 0.05 20.68 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.065 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.637 ' HA ' HD12 ' A' ' 37' ' ' LEU . 32.7 m -124.15 23.99 8.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 110.059 172.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 9.5 tt0 -154.74 87.76 1.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.505 176.494 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.86 -167.48 32.86 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.113 -176.424 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.498 ' HG3' HD12 ' A' ' 96' ' ' LEU . 21.5 mt-30 -69.28 137.84 53.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.313 . . . . 0.0 110.737 179.039 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 37' ' ' LEU . 59.8 tp -76.75 114.95 16.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.374 178.037 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 36' ' ' ARG . 28.8 tt0 -119.11 122.79 42.88 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.749 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.45 150.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.756 -173.612 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.9 t80 -98.43 106.37 18.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.398 176.467 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 mt -111.78 -167.79 1.23 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.541 179.52 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -57.54 -28.03 63.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.208 0.528 . . . . 0.0 110.78 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.1 16.99 20.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.738 -176.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.81 -160.05 26.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.748 176.733 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -78.98 120.94 24.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.958 0.409 . . . . 0.0 110.982 -179.208 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.83 142.79 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.059 178.313 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 64.0 mtp -71.84 140.01 49.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 178.388 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.5 t -92.32 125.6 44.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.0 0.429 . . . . 0.0 110.257 178.105 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 138.26 31.69 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 128' ' ' LEU . 14.3 m -61.77 -21.01 64.19 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -171.412 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -85.3 59.14 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.241 0.543 . . . . 0.0 109.915 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.2 m -122.61 151.14 41.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.631 -177.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' GLY . 3.4 m-90 59.07 -96.07 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.995 176.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -133.12 19.66 4.33 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.146 179.541 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.651 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 17.8 mmt180 -83.9 172.26 12.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.041 0.448 . . . . 0.0 110.318 -179.688 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 p -131.35 -159.92 1.0 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.564 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.566 ' C ' ' HG2' ' A' ' 94' ' ' PRO . 14.4 t -87.7 15.62 6.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.87 0.367 . . . . 0.0 110.979 -178.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -140.68 172.04 13.26 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 92' ' ' LEU . 39.6 tt0 -75.99 142.03 42.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 111.688 -175.098 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.651 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 22.6 m95 -108.14 171.73 7.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.25 171.493 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' C ' ' HD3' ' A' ' 74' ' ' PRO . 26.8 tt0 -88.24 42.01 1.04 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.416 0.627 . . . . 0.0 110.747 -173.033 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' N ' ' HD3' ' A' ' 74' ' ' PRO . 2.1 m-20 -133.34 62.19 58.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.141 178.094 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' ASP . 1.3 Cg_endo -86.25 -32.78 0.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.827 2.351 . . . . 0.0 112.029 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.881 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 1.8 m -68.42 -12.51 61.27 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.711 -174.782 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -65.32 -19.87 66.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.697 178.54 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.7 27.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.898 -178.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.2 t -50.62 -51.81 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.622 -178.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' TRP . 5.1 mptp? -67.24 -23.19 65.68 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.57 -52.83 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.07 -35.44 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.96 0.409 . . . . 0.0 109.93 176.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.52 -41.07 89.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.066 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -62.95 -29.26 70.67 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 110.978 176.721 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.497 HD11 ' HG ' ' A' ' 37' ' ' LEU . 74.3 mt -92.61 2.66 56.58 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.693 179.583 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 57.66 37.96 27.52 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.874 179.751 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.0 m -109.11 176.49 5.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.142 176.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -84.82 -130.85 2.21 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.138 -176.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -74.64 150.52 86.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 111.694 -174.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.881 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.5 Cg_endo -84.62 105.09 0.99 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.233 2.622 . . . . 0.0 110.983 173.117 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 133' ' ' LEU . 94.6 mt -71.59 -49.24 42.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.414 -174.701 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.0 m -146.16 148.02 32.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.459 -176.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.926 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -149.47 117.04 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.55 -166.25 38.5 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.536 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.566 ' HG2' ' C ' ' A' ' 68' ' ' SER . 27.4 Cg_exo -64.52 95.93 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.855 2.37 . . . . 0.0 111.846 178.213 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -97.94 -33.03 11.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -176.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 81.2 mt -123.29 156.11 35.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.482 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HG2' ' CD2' ' A' ' 126' ' ' HIS . 52.1 mtmt -120.65 52.9 1.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 -177.549 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 m -92.38 -41.07 10.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.428 178.184 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.6 p90 37.82 72.63 0.12 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.098 0.959 . . . . 0.0 113.337 177.72 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.3 p -86.62 101.51 2.13 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.859 174.37 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.563 ' HA ' ' HB3' ' A' ' 120' ' ' SER . 19.6 Cg_endo -57.71 -28.18 80.71 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.824 2.349 . . . . 0.0 113.345 -171.166 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -74.1 -44.59 53.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.536 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.2 m -91.61 -37.22 13.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.301 -175.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 18.6 m -82.15 127.37 33.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.134 -178.226 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HB2' ' A' ' 117' ' ' CYS . 24.6 pt -109.99 151.65 12.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.181 0.515 . . . . 0.0 111.196 -177.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.6 mt -110.86 121.54 63.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.36 -0.837 . . . . 0.0 108.836 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -104.81 157.23 17.35 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.829 -174.651 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -130.03 161.86 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.52 -132.26 10.87 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.97 175.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -87.39 150.22 23.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.712 0.291 . . . . 0.0 110.482 -176.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.63 103.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.274 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.546 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 109.37 -1.5 31.01 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.42 179.242 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t -84.39 100.28 11.19 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.126 0.489 . . . . 0.0 110.4 179.654 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -92.55 27.77 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.608 176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.1 m -66.24 -55.02 18.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.231 -174.455 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -137.53 105.75 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.588 -179.219 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.414 ' HB2' HD12 ' A' ' 105' ' ' ILE . 8.0 m -114.51 156.02 25.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.437 -179.138 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -117.99 167.47 11.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.042 0.449 . . . . 0.0 111.395 -175.606 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -59.34 141.32 54.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.455 175.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' A' ' 101' ' ' PRO . 29.9 t -62.88 108.53 1.21 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.574 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -126.94 49.79 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.781 -174.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.505 ' OD1' ' HB2' ' A' ' 125' ' ' CYS . 25.6 p-10 -130.23 -178.99 4.99 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.351 175.597 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.01 -52.52 7.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.928 0.394 . . . . 0.0 111.292 -175.847 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 124' ' ' MET . 15.6 ptp -125.95 101.61 6.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.385 0.612 . . . . 0.0 111.113 -178.049 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.505 ' HB2' ' OD1' ' A' ' 122' ' ' ASN . 6.1 t -111.32 167.85 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.619 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 97' ' ' LYS . 21.7 m170 -140.49 149.78 42.93 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.133 -0.354 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 13.4 m -73.13 124.78 26.26 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.484 HD21 ' HG ' ' A' ' 92' ' ' LEU . 6.7 tt -77.23 123.44 26.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.579 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -113.69 138.02 14.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.746 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.926 HD13 HD12 ' A' ' 92' ' ' LEU . 65.4 tp -121.17 135.92 55.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.32 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 31.7 m -116.88 103.98 10.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.806 178.259 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 33.7 m -104.14 134.91 46.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.432 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.443 ' CD2' HD11 ' A' ' 90' ' ' LEU . 41.2 mt -60.84 124.81 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.428 0.156 . . . . 0.0 110.903 177.846 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.765 175.459 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.46 HH11 ' HD3' ' A' ' 25' ' ' ARG . 45.5 mtp180 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.6 mt -108.96 116.52 32.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.845 0.355 . . . . 0.0 110.051 -179.179 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 t -142.61 150.63 40.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.02 23.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -111.41 -11.12 14.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.97 0.414 . . . . 0.0 110.488 173.334 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.22 130.58 41.49 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.162 -178.688 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.62 -7.88 22.17 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.944 2.429 . . . . 0.0 112.435 -179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.68 -25.81 44.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.855 174.098 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -75.05 137.57 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.869 -177.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.882 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -119.72 133.98 55.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.731 0.3 . . . . 0.0 110.471 -178.15 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.72 153.54 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.251 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 143.85 28.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -176.786 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.5 mt -97.06 140.42 31.6 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 175.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.488 HG21 HE21 ' A' ' 47' ' ' GLN . 81.4 p -71.13 162.67 29.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.213 177.571 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.34 -72.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 179.453 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 t 59.78 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.59 0.556 . . . . 0.0 111.141 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -110.48 -44.99 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.15 0.5 . . . . 0.0 109.721 178.636 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -171.28 163.13 7.02 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.607 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.11 -18.58 63.57 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -166.507 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 87.7 m -97.15 3.71 51.49 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.612 -0.435 . . . . 0.0 112.086 -178.736 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 3.6 pt20 -152.46 102.17 2.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.671 0.748 . . . . 0.0 111.2 177.129 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.27 -165.29 20.16 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.997 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 HE21 HG21 ' A' ' 38' ' ' THR . 22.4 mt-30 -76.68 133.49 39.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.891 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -82.08 111.82 18.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -177.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -110.26 130.73 55.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 172.534 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.81 152.96 19.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 -177.171 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -94.08 118.22 31.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.963 -178.242 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -102.73 176.74 5.06 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 172.216 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 2.5 tmtp? -59.2 -37.23 76.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -173.588 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -99.36 19.35 15.69 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -175.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.09 -173.55 19.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.905 -1.141 . . . . 0.0 113.8 172.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -83.47 140.53 32.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.033 0.444 . . . . 0.0 110.939 -178.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -138.71 144.66 39.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.536 -178.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 73.5 mtp -81.81 133.94 35.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.016 178.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.82 116.74 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.092 0.472 . . . . 0.0 109.931 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.5 t -80.6 132.01 35.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 176.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.457 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 80.3 p -79.24 39.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -175.753 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -118.46 21.63 12.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.0 m -99.0 147.54 24.91 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.166 -175.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.45 ' CG ' ' HA ' ' A' ' 111' ' ' LEU . 3.3 m-90 58.81 -87.5 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 124.165 0.916 . . . . 0.0 111.957 177.005 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.05 29.2 2.75 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.184 -179.596 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.761 HH12 HD11 ' A' ' 111' ' ' LEU . 80.5 mmt-85 -109.32 150.72 27.58 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.651 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.6 p -148.55 -82.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.263 0.554 . . . . 0.0 110.523 176.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -130.92 0.34 4.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.696 0.76 . . . . 0.0 109.482 176.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -110.66 144.4 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.456 -177.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -81.69 139.32 34.99 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.448 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -91.42 164.5 13.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.375 -168.787 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.4 -53.76 54.49 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.504 0.502 . . . . 0.0 112.32 -175.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -112.64 104.92 56.12 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.381 . . . . 0.0 111.288 -175.112 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -93.45 -6.44 2.62 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.944 2.43 . . . . 0.0 113.047 177.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.883 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 33.1 m -85.04 44.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 111.67 -173.597 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -103.25 -19.28 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.817 174.425 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.39 20.67 11.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.863 -178.828 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.6 m -54.97 -42.47 72.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.709 -178.204 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.856 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -61.62 -37.3 83.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.024 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.5 t -64.42 -55.18 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.152 178.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 57.9 m -57.93 -44.91 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 -179.83 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.65 -46.46 88.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -177.302 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.587 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 4.4 mmp_? -76.32 -19.48 58.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.508 -178.61 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 tp -86.85 10.05 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.031 0.443 . . . . 0.0 110.169 177.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.2 t30 68.67 45.18 1.08 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.134 0.968 . . . . 0.0 110.382 179.202 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 80.1 m -135.44 176.19 8.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.466 176.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.83 -157.34 26.47 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.676 -179.447 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 8.4 m-20 -55.43 150.21 24.87 Favored Pre-proline 0 N--CA 1.468 0.454 0 C-N-CA 122.692 0.397 . . . . 0.0 112.016 -176.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.883 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 8.8 Cg_endo -85.11 104.31 0.86 Allowed 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.297 2.665 . . . . 0.0 111.877 177.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD11 HD23 ' A' ' 133' ' ' LEU . 92.6 mt -68.84 -38.59 79.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.199 -178.584 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -147.75 154.29 40.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.58 -177.354 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.408 HD12 HD13 ' A' ' 130' ' ' LEU . 7.5 tt -156.03 99.39 1.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.854 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.16 -162.32 27.32 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.638 -177.648 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.03 107.22 0.75 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.431 2.087 . . . . 0.0 112.025 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.832 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.8 t80 -93.69 -40.52 10.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.204 -177.584 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 94.5 mt -139.66 163.94 31.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.53 -178.091 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -111.0 58.47 0.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.8 m -79.49 -29.36 41.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.647 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 68.38 -76.55 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.52 -179.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.4 m 46.05 72.28 1.29 Allowed Pre-proline 0 C--O 1.236 0.373 0 O-C-N 123.463 0.477 . . . . 0.0 110.758 -173.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.44 46.92 1.5 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.383 2.722 . . . . 0.0 113.03 -173.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -139.84 -38.44 0.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.006 177.17 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.3 m -105.31 -11.27 16.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.464 -177.012 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.0 p -83.77 127.76 34.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.649 . . . . 0.0 111.705 -175.245 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.8 pt -116.96 155.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.124 179.048 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.87 131.32 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.277 176.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.85 147.67 31.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.428 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -117.44 154.48 31.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.017 -172.442 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.5 -123.42 6.9 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.184 -0.531 . . . . 0.0 114.079 171.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 110' ' ' GLN . 10.5 mt-30 -71.61 119.41 15.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.544 . . . . 0.0 112.353 -172.867 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.761 HD11 HH12 ' A' ' 66' ' ' ARG . 4.8 tt -61.01 118.78 7.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.045 178.036 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.28 -15.98 15.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.665 177.404 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t -97.77 135.73 39.13 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.095 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.479 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 88.5 m-85 -118.69 24.07 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.766 -179.471 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 10.0 m -79.77 -43.76 21.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.964 0.412 . . . . 0.0 110.859 -176.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -114.9 65.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.169 0.509 . . . . 0.0 111.131 -177.802 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 19.3 m -101.05 159.04 15.56 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.507 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.8 m -144.21 166.01 26.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.644 0.259 . . . . 0.0 110.651 -178.599 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -72.84 140.93 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.312 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.4 t -60.02 113.45 2.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 -177.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -118.09 27.65 8.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.03 172.76 7.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 178.661 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.41 -64.48 0.85 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -173.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -101.44 155.97 17.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 111.92 -172.218 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 32.3 t -153.83 143.3 21.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.34 176.556 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.457 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 33.3 m170 -126.1 146.88 49.75 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.5 m -83.4 118.66 23.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -177.31 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.27 123.74 24.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.093 0.473 . . . . 0.0 110.195 -177.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.832 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -109.61 126.85 8.19 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 178.002 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 45' ' ' GLN . 51.0 tp -103.34 117.88 35.5 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 178.578 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 19.9 m -104.24 95.83 6.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.723 0.297 . . . . 0.0 110.915 -177.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.424 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 4.4 m -98.09 148.07 23.91 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.46 HD23 HD11 ' A' ' 90' ' ' LEU . 66.0 mt -56.59 139.46 49.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.601 176.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.6 -177.439 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.966 0.412 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.89 81.71 1.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.753 176.515 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 29' ' ' TYR . 11.4 m -83.85 138.24 33.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.114 -178.138 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.04 13.82 0.62 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.449 0.643 . . . . 0.0 110.778 176.882 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HA ' ' HG2' ' A' ' 79' ' ' LYS . 2.9 t80 -115.43 5.29 14.49 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.322 178.89 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 33.2 m-20 -90.7 136.67 27.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.261 178.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 28.1 Cg_exo -62.89 -16.21 52.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.336 2.691 . . . . 0.0 112.778 -178.38 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -100.38 -2.09 34.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.707 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.72 132.73 46.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.161 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -101.88 120.99 41.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.099 0.476 . . . . 0.0 111.209 -177.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.21 151.41 38.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.946 177.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.71 157.78 44.15 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.2 mt -107.85 120.2 41.6 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.424 178.47 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 4.3 m -54.36 115.22 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.634 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.643 ' HD3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -47.18 -74.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.969 0.793 . . . . 0.0 112.506 -166.89 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t 65.62 -68.12 0.12 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.021 0.439 . . . . 0.0 110.482 -176.554 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -120.48 -35.88 3.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.819 -179.261 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.7 t -151.64 161.38 42.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.631 -175.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -88.12 5.06 43.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.276 0.56 . . . . 0.0 109.736 177.129 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -119.74 -1.85 10.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.041 178.784 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -148.65 119.59 7.65 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 38' ' ' THR . . . 175.15 -151.05 11.61 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.797 -179.297 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.537 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 56.3 mt-30 -86.85 147.49 25.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -86.16 108.96 18.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.006 0.432 . . . . 0.0 111.11 -177.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -112.68 133.64 54.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.482 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.01 152.22 20.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.666 -177.818 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -103.25 102.92 12.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.17 179.346 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.7 mt -104.46 -169.38 1.61 Allowed 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.09 -22.48 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 110.489 -179.505 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.99 0.51 47.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.7 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.43 -161.74 14.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.721 175.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.76 125.82 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -142.35 145.77 34.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.215 0.531 . . . . 0.0 111.157 179.062 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.4 mtp -75.83 140.84 42.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.114 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.21 127.23 41.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.937 0.399 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.3 t -76.7 134.27 39.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.856 177.218 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.48 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 87.7 p -78.37 51.62 1.05 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.036 0.446 . . . . 0.0 111.374 -177.422 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 22.7 tp60 -151.49 31.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.666 0.746 . . . . 0.0 109.114 177.039 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.3 m -95.23 143.94 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.327 -172.473 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.507 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 3.7 m-90 58.38 -89.4 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.733 179.112 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' TRP . . . -138.95 26.55 2.73 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.115 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 62' ' ' GLN . 21.7 mmt180 -100.98 116.62 33.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 178.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 m -75.74 173.49 11.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.926 -179.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 m -78.62 44.99 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.376 0.607 . . . . 0.0 110.345 177.347 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -142.85 152.72 42.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -70.59 107.37 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.585 0.707 . . . . 0.0 109.817 178.156 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 145.68 42.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.287 -175.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -82.97 41.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.194 0.521 . . . . 0.0 110.533 -177.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -152.53 68.04 6.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.18 0.514 . . . . 0.0 110.809 -178.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -87.83 -12.58 4.26 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.562 2.175 . . . . 0.0 112.321 179.559 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 m -64.95 -16.9 63.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.187 -174.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -71.66 -14.83 62.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.972 0.415 . . . . 0.0 110.342 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.48 10.37 41.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -177.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.464 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 49.3 m -56.76 -38.22 72.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.611 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG2' ' HA ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -61.97 -32.02 72.43 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.888 -179.633 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.76 -49.3 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 0.0 110.274 178.249 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 77.5 m -61.06 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.478 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -64.07 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.4 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 3.2 tmt_? -62.52 -31.09 71.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.94 4.0 54.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.502 -179.483 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.86 43.69 5.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.73 0.776 . . . . 0.0 110.917 -178.247 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 43.5 m -117.69 167.22 11.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 175.445 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.91 178.0 49.26 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.082 178.29 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.44 150.62 23.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.06 0.457 . . . . 0.0 111.945 -175.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 78' ' ' SER . 56.0 Cg_endo -73.53 127.12 11.46 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.142 2.561 . . . . 0.0 113.161 -176.558 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 133' ' ' LEU . 95.2 mt -84.04 -45.21 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.225 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 p -145.93 152.49 39.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -176.32 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 130' ' ' LEU . 25.3 tp -151.28 139.11 19.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.284 -177.227 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.43 -157.13 26.51 Favored Glycine 0 C--O 1.227 -0.295 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.014 177.198 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.13 101.02 1.17 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.816 2.344 . . . . 0.0 112.133 -179.655 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 6.7 m-85 -101.74 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.484 -175.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 127' ' ' SER . 68.4 mt -100.7 168.84 9.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.626 -175.225 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 2.5 mptp? -125.21 64.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.932 -173.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 m -77.24 -37.93 52.22 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.387 178.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 69.5 m-85 46.46 72.64 0.22 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.603 0.564 . . . . 0.0 111.812 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.0 m -133.1 91.91 26.87 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.44 178.652 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.5 66.43 2.21 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.271 2.647 . . . . 0.0 111.432 178.257 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 119' ' ' HIS . 34.7 tt0 -163.63 -54.6 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.268 -178.125 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 m -85.5 -10.38 56.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.639 178.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.7 p -110.26 151.66 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.5 pt -131.69 157.5 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.781 178.733 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.3 tt -123.61 127.58 74.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.179 0.514 . . . . 0.0 109.696 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 56.4 m -98.92 142.04 30.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.945 0.403 . . . . 0.0 111.262 -173.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -121.76 170.41 9.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 178.085 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.79 -133.46 11.41 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.759 179.186 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -94.48 134.58 36.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.724 0.297 . . . . 0.0 110.92 -175.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.96 114.17 1.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.622 -178.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.64 -8.64 28.08 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.902 176.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -98.87 109.9 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.124 0.487 . . . . 0.0 110.935 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 62.2 m-85 -96.69 22.63 7.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.052 175.74 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.5 m -59.76 -43.43 94.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.605 -175.734 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -148.23 100.27 3.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.202 0.525 . . . . 0.0 110.518 179.266 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.7 m -100.9 157.31 16.82 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.696 178.238 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.7 t -109.66 156.56 20.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.729 -176.017 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 102' ' ' GLN . 26.1 t-80 -73.01 135.7 44.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.215 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.6 m -61.32 116.89 4.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.186 0.304 . . . . 0.0 110.961 -177.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.454 HH11 ' HD3' ' A' ' 121' ' ' ARG . 6.3 mmm180 -95.23 7.85 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.727 -176.551 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.45 ' ND2' ' HG2' ' A' ' 124' ' ' MET . 24.9 p-10 -141.75 163.55 32.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 111.412 -174.105 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.1 4.86 53.22 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.45 ' HG2' ' ND2' ' A' ' 122' ' ' ASN . 22.6 ptt? -95.21 18.92 11.4 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.092 -175.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.1 m -76.84 95.43 4.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.669 0.747 . . . . 0.0 111.61 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.48 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 76.2 m80 -73.87 149.53 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.966 174.663 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 96' ' ' LEU . 8.5 m -73.79 110.26 7.95 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.02 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 61' ' ' SER . 7.2 tt -66.83 119.63 12.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.965 -177.069 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -106.08 144.71 15.85 Favored Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.906 -178.745 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 92' ' ' LEU . 65.0 tp -131.84 118.18 19.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.88 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 32.7 m -104.06 99.55 9.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.533 179.598 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 59.0 m -85.86 154.97 21.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.107 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 90' ' ' LEU . 21.2 mt -64.08 102.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.018 0.437 . . . . 0.0 110.272 175.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.179 -178.517 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 121.197 0.522 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.4 mt -116.83 69.61 0.76 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.395 172.399 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.618 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 18.1 m -89.82 148.89 22.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.0 110.338 -176.77 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.518 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -73.2 18.44 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.764 178.208 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' SER . 6.1 t80 -120.91 2.08 10.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -90.82 145.5 32.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.42 -21.77 60.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 123.342 2.695 . . . . 0.0 112.891 -178.255 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -99.26 14.79 28.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.853 0.358 . . . . 0.0 111.268 -177.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -84.02 129.05 34.93 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.841 0.353 . . . . 0.0 110.166 178.169 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 51.5 mt-30 -116.48 126.28 53.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.464 -177.48 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -158.13 160.3 37.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.354 -177.868 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -141.53 170.49 15.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.76 176.323 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 94.0 mt -121.0 46.56 2.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.125 -176.516 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.686 HG21 HE21 ' A' ' 47' ' ' GLN . 71.9 p 45.86 -158.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.388 176.435 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -127.4 41.41 3.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.526 178.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -69.38 -41.19 76.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.374 -171.775 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -157.04 -40.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.294 0.569 . . . . 0.0 110.437 -177.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 t -138.26 153.27 49.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -68.68 -13.89 62.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.385 -173.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 10.2 t -122.57 22.32 9.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.063 0.459 . . . . 0.0 110.542 178.381 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -147.87 104.81 3.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.79 -146.5 8.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.88 -178.481 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.686 HE21 HG21 ' A' ' 38' ' ' THR . 22.5 mt-30 -83.59 135.57 34.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 -176.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.7 tp -78.19 105.41 9.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.145 0.498 . . . . 0.0 110.898 -179.18 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -106.17 125.82 51.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.162 173.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.0 m -109.13 150.79 11.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.646 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 76.6 t80 -99.82 101.78 13.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.916 178.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.3 mt -102.26 -165.04 1.14 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.184 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -30.72 71.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.324 0.583 . . . . 0.0 110.731 -176.276 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.45 -57.36 3.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.574 174.657 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.24 -144.61 9.56 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 178.293 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.572 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 99.8 m95 -82.78 125.03 30.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.698 0.285 . . . . 0.0 110.315 179.179 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -140.05 146.42 38.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 179.9 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.0 mtp -78.18 132.42 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.505 -179.059 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.75 126.53 40.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.869 0.366 . . . . 0.0 110.631 179.186 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.7 t -80.95 137.53 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -77.42 8.44 4.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.188 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -110.17 36.8 2.91 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 m -105.16 160.35 15.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.027 -175.06 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 62.37 -89.21 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.751 175.833 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.77 22.44 1.98 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 177.881 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HD2' ' CE2' ' A' ' 71' ' ' TRP . 85.3 mmt-85 -112.4 143.73 43.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 -176.676 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.423 ' H ' ' HZ2' ' A' ' 71' ' ' TRP . 66.0 m -97.85 161.71 13.61 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 170.112 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 5.4 t -69.29 78.98 0.37 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.172 0.51 . . . . 0.0 110.553 -179.185 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -148.71 157.45 43.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -79.28 109.22 13.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.763 0.316 . . . . 0.0 110.372 -178.401 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.423 ' CE2' ' HD2' ' A' ' 66' ' ' ARG . 87.7 m95 -91.36 169.44 10.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.764 -177.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.94 24.71 10.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.818 -170.385 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -144.16 86.22 8.48 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.961 0.41 . . . . 0.0 110.695 177.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.13 -10.84 5.57 Favored 'Trans proline' 0 N--CA 1.452 -0.971 0 C-N-CA 122.149 1.9 . . . . 0.0 111.824 174.341 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 21.1 p -73.62 -1.38 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.016 -174.746 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.2 -19.35 61.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.046 0.451 . . . . 0.0 110.518 174.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.74 22.41 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -174.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.3 m -58.09 -36.07 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.658 -179.452 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 57.0 tptt -65.72 -29.36 69.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -178.828 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.3 t -68.67 -47.21 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.168 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.0 m -60.06 -39.08 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.602 177.074 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 5.9 tp60 -65.3 -35.44 81.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.689 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -67.77 -23.03 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.251 177.838 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.21 9.18 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.114 177.204 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.1 t30 57.16 48.16 15.82 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.101 -179.269 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 63.7 m -117.42 178.4 4.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.685 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -81.07 -151.91 8.42 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.096 178.001 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -77.1 151.55 81.67 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-O 121.06 0.457 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 43.1 Cg_endo -74.46 119.77 5.91 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.867 2.378 . . . . 0.0 112.327 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 tt -78.81 -48.52 14.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.319 -175.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 p -145.11 152.37 39.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.371 -176.764 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.875 HD12 HD13 ' A' ' 130' ' ' LEU . 9.6 tt -147.26 137.8 23.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.119 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.16 -152.48 23.51 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.813 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.49 96.33 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.774 2.316 . . . . 0.0 111.623 176.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.948 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 55.0 t80 -82.9 -41.59 18.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.87 0.367 . . . . 0.0 110.434 -176.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.533 ' HG ' ' HD2' ' A' ' 95' ' ' PHE . 77.3 mt -136.87 151.05 48.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.266 0.555 . . . . 0.0 111.312 -177.663 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -102.88 47.02 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.67 177.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.7 m -77.39 -34.55 54.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.605 -179.873 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 98.4 m-85 68.94 -73.44 0.09 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.961 -179.104 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 m 42.02 73.71 0.86 Allowed Pre-proline 0 C--O 1.238 0.457 0 C-N-CA 123.443 0.697 . . . . 0.0 112.294 -177.635 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.77 64.47 3.14 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.537 2.158 . . . . 0.0 111.801 178.645 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -166.48 -31.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.705 -178.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.2 m -107.57 -8.52 16.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 178.694 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.9 p -94.59 149.75 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.862 0.363 . . . . 0.0 110.734 -178.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.4 pt -132.3 147.79 32.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 19.9 mt -111.27 118.88 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 0.5 OUTLIER -100.76 161.69 13.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.244 -177.559 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -126.31 157.12 39.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.196 -175.185 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.25 -141.2 15.22 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.305 175.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -78.3 147.11 34.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -176.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.41 112.39 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.213 -176.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 104.59 -4.31 43.16 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.851 177.281 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.1 t -88.01 106.93 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.955 0.378 . . . . 0.0 110.714 179.673 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.454 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 96.6 m-85 -98.67 26.08 5.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.498 178.502 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 m -67.15 -26.9 66.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.824 -175.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -155.97 94.05 1.5 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.985 0.421 . . . . 0.0 110.038 -178.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 52.2 m -106.63 153.53 22.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 -179.11 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.7 t -112.91 133.27 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 110.521 -177.297 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -84.58 100.85 11.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.308 175.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 m -111.96 141.5 45.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.878 178.203 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -108.85 62.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.013 0.435 . . . . 0.0 110.805 -178.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -110.25 153.02 25.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.545 179.284 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.04 34.54 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.104 -169.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -121.3 14.49 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.121 0.486 . . . . 0.0 110.745 176.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 99' ' ' TYR . 6.9 m -95.7 117.09 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.601 -179.522 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.45 ' HB2' ' OG ' ' A' ' 68' ' ' SER . 33.1 m80 -94.22 143.97 25.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.882 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 m -61.17 116.95 4.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 -179.416 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.74 113.24 6.03 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.166 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.948 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.54 148.81 16.86 Favored Glycine 0 N--CA 1.44 -1.092 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.489 -176.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.875 HD13 HD12 ' A' ' 92' ' ' LEU . 62.4 tp -131.55 124.34 29.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.003 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 24.0 m -104.41 96.86 6.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.36 178.441 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 60.7 m -86.48 145.34 26.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 175.3 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.02 105.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 178.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.099 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 25' ' ' ARG . 9.3 mmm180 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.083 0.468 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.655 HD11 ' HE3' ' A' ' 53' ' ' LYS . 95.7 mt -134.55 88.17 2.42 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.946 177.174 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -154.31 150.03 27.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.158 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.95 0.4 7.45 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.488 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -91.34 -17.79 25.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.062 0.458 . . . . 0.0 110.056 -178.923 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.48 146.26 65.4 Favored Pre-proline 0 C--O 1.235 0.341 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 -177.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.28 -15.4 31.55 Favored 'Trans proline' 0 N--CA 1.464 -0.206 0 C-N-CA 123.309 2.673 . . . . 0.0 113.458 -174.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -110.65 20.51 17.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 111.46 -179.164 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -99.25 124.36 44.26 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.658 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -106.75 141.85 37.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.883 0.373 . . . . 0.0 111.273 -177.002 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.88 154.23 38.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.167 178.621 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 84' ' ' LEU . 5.5 ptp180 -144.63 169.01 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.844 0.354 . . . . 0.0 110.598 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 130' ' ' LEU . 90.6 mt -117.31 136.43 53.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.254 174.095 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 p -62.84 155.99 25.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.815 -177.648 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 39' ' ' ARG . 8.6 ptp85 -68.09 64.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.886 -179.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 t -79.14 -60.96 2.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.113 178.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -144.36 -74.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 0.0 109.751 178.671 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 48.3 t -105.44 163.8 12.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.033 177.579 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.672 ' HD2' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -72.92 -10.43 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.92 0.39 . . . . 0.0 110.455 -178.613 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 67.9 m -102.69 11.49 37.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.491 -178.164 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 20.1 pt20 -152.89 131.65 12.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.039 0.447 . . . . 0.0 111.399 -179.697 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 157.46 -154.93 25.96 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.342 178.022 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.648 ' HG3' HD12 ' A' ' 96' ' ' LEU . 92.7 mt-30 -88.87 133.84 34.15 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.586 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 tp -80.69 116.94 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -111.11 135.71 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.831 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.94 152.05 22.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -177.606 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -93.74 106.76 18.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 178.583 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 HD13 ' A' ' 105' ' ' ILE . 50.0 mt -99.21 -168.92 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.565 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.0 mttt -63.75 -36.68 84.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 110.386 177.724 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -51.09 10.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.187 178.083 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.62 -147.43 12.02 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.513 177.46 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -86.6 121.8 29.63 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -177.365 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -136.14 143.15 44.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.629 179.447 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.8 ttp -80.29 133.38 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.363 -179.033 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.7 t -85.18 132.18 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 -177.485 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.5 t -86.22 134.26 33.79 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.012 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 8.6 p -78.51 20.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.074 0.464 . . . . 0.0 111.71 -176.023 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -110.82 33.36 4.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.0 0.905 . . . . 0.0 108.727 174.928 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -108.52 157.06 18.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.108 -175.836 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 60.55 -89.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.15 0.906 . . . . 0.0 111.764 176.45 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -147.54 36.16 1.18 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.819 179.285 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -104.18 121.27 42.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.815 -179.175 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 m -89.46 176.51 6.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.682 175.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 m -77.43 61.72 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.153 0.501 . . . . 0.0 110.621 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -164.49 155.17 14.83 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.711 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.26 110.11 17.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -76.91 159.97 29.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -178.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -86.67 53.65 2.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.086 0.469 . . . . 0.0 111.376 -173.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -175.19 78.83 0.31 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.229 171.761 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.01 -4.0 4.56 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.697 2.265 . . . . 0.0 112.098 177.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.852 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 20.4 m -64.87 -12.32 47.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.391 -174.72 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -63.32 -19.82 64.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.637 0.256 . . . . 0.0 111.456 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.45 19.35 15.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.683 0.278 . . . . 0.0 111.255 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.7 p -55.62 -46.49 77.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.452 -179.701 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -64.42 -31.3 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 -179.249 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.03 -48.88 82.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.185 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.4 m -62.64 -37.69 87.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.062 177.533 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.53 -40.64 97.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 179.394 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -60.65 -33.81 73.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.976 0.417 . . . . 0.0 110.946 176.351 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 36' ' ' ARG . 80.3 mt -87.7 6.83 32.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.469 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.28 43.95 4.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.701 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.3 m -117.48 -176.53 3.03 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.899 178.014 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -97.13 -150.8 27.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.206 179.154 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.25 149.14 97.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.087 0.47 . . . . 0.0 111.526 -179.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.852 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 59.5 Cg_endo -80.39 123.47 4.94 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.012 2.474 . . . . 0.0 112.639 179.197 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.87 -46.91 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.954 -177.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 m -133.98 143.22 48.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.003 -175.267 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.8 tt -149.98 99.49 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.08 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.87 -153.49 9.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.028 -177.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.47 83.53 2.21 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.883 2.389 . . . . 0.0 112.777 -178.307 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.02 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 83.4 m-85 -112.74 136.63 52.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.203 179.293 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.648 HD12 ' HG3' ' A' ' 47' ' ' GLN . 87.6 mt 67.26 167.61 0.24 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.771 0.669 . . . . 0.0 110.996 -176.562 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD3' ' HE2' ' A' ' 99' ' ' TYR . 63.2 mttp -142.29 126.91 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.635 -177.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.8 m -126.46 -41.32 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.059 0.457 . . . . 0.0 110.329 175.154 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HE2' ' HD3' ' A' ' 97' ' ' LYS . 67.9 m-85 61.81 14.53 6.31 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.05 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.9 m -87.62 108.79 22.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 178.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.37 -6.63 18.03 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.945 2.43 . . . . 0.0 112.483 -176.514 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -84.21 -22.06 31.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.097 178.754 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 m -108.97 -36.65 6.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.878 -178.127 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -84.17 150.75 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.084 -175.482 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.539 HD13 HD11 ' A' ' 52' ' ' LEU . 36.3 pt -130.05 147.82 33.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.963 177.788 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.6 mt -112.3 126.55 69.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 173.253 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 4.0 t -112.64 148.37 34.77 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.742 -175.065 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.35 164.05 12.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.259 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.9 -148.66 17.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.315 175.08 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -82.71 142.53 31.58 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 122.523 0.329 . . . . 0.0 110.912 -176.377 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.8 tp -58.24 105.7 0.31 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.581 -179.47 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.72 -17.45 7.28 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.178 -178.319 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.3 t -91.02 123.13 34.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.0 110.702 -179.589 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 90.8 m-85 -114.39 26.57 10.14 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.186 -179.476 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -84.41 -14.16 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.37 -176.304 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -140.2 75.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.182 179.359 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 10.1 m -113.06 151.54 30.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.781 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 64.2 p -136.06 165.63 25.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.932 0.396 . . . . 0.0 110.647 -179.182 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -81.76 138.58 35.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.09 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -67.24 103.18 1.18 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.691 -175.783 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -87.71 34.04 0.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.428 0.632 . . . . 0.0 110.317 174.867 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.442 HD22 ' HG2' ' A' ' 124' ' ' MET . 4.2 p-10 -143.8 148.76 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.36 -179.184 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -94.41 63.6 3.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.906 0.86 . . . . 0.0 111.008 -172.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.442 ' HG2' HD22 ' A' ' 122' ' ' ASN . 23.8 ptt? -164.13 123.56 1.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.892 171.42 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.1 t -165.55 130.26 2.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 0.0 111.015 -177.52 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -111.32 132.71 54.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.48 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.431 ' HB2' ' HG2' ' A' ' 47' ' ' GLN . 3.3 p -68.12 140.15 56.19 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.169 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.477 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 7.0 tt -70.83 103.87 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 1.02 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -91.59 113.25 4.3 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.684 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.542 ' HB3' HD21 ' A' ' 37' ' ' LEU . 45.0 tp -105.66 131.71 52.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.909 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 30.9 m -124.33 105.99 9.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.005 178.159 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 9.1 m -105.68 154.64 20.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 -178.56 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.0 mt -64.46 141.59 58.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.275 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.872 -179.366 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.784 0.326 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.2 mt -96.62 61.94 1.95 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.062 0.458 . . . . 0.0 110.435 175.107 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 13.0 m -90.3 142.41 27.75 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.262 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.669 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.4 OUTLIER -79.02 18.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 111.491 -176.62 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -105.63 -13.99 15.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.767 173.056 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 69.2 m-20 -77.57 137.09 63.35 Favored Pre-proline 0 C--O 1.231 0.112 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -176.497 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 79.3 Cg_exo -48.24 -50.18 12.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 123.297 2.665 . . . . 0.0 113.655 -172.409 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -94.02 12.33 26.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.024 -171.858 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 91.8 t80 -67.15 113.47 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 173.868 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.9 121.72 41.22 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.223 0.535 . . . . 0.0 111.073 -175.735 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.57 148.99 43.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.28 175.947 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -134.33 159.14 41.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.909 0.385 . . . . 0.0 110.095 -178.498 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 130' ' ' LEU . 86.9 mt -111.93 138.62 48.31 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.301 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 61.7 p -60.8 155.68 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.315 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' NH2' ' HD3' ' A' ' 43' ' ' LYS . 18.3 mmm180 -53.97 -55.41 27.37 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.162 0.288 . . . . 0.0 110.67 -175.26 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.8 m 53.65 -95.21 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.901 0.751 . . . . 0.0 112.296 173.847 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -136.88 -24.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.18 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.771 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 39.4 t -147.89 155.87 42.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -178.359 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD3' ' NH2' ' A' ' 39' ' ' ARG . 27.8 mmmt -77.71 11.42 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -173.714 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.686 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 1.0 OUTLIER -145.19 22.47 1.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.339 179.381 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.771 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 10.1 pt20 -155.28 112.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.403 0.62 . . . . 0.0 110.625 176.203 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.12 -161.08 28.49 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.385 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.458 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.5 mp0 -73.47 141.99 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.86 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.6 tp -89.3 109.64 20.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.917 0.389 . . . . 0.0 110.795 -177.081 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.8 120.69 43.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.408 174.067 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.53 152.95 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -176.749 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -89.53 104.65 17.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.379 179.314 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD11 HD13 ' A' ' 105' ' ' ILE . 90.1 mt -85.55 177.99 7.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.1 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tptp -79.47 48.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.565 0.698 . . . . 0.0 110.237 -178.029 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -167.33 -36.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.528 -179.518 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.01 -168.89 42.02 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.027 177.621 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -86.39 131.66 34.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.723 0.297 . . . . 0.0 110.286 -179.306 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -140.11 141.9 36.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.086 -179.318 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptm -80.22 136.77 36.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.763 -179.657 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.1 t -84.86 143.54 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -178.743 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.59 145.25 31.23 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.139 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 68' ' ' SER . 92.8 p -81.31 56.27 2.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.197 0.523 . . . . 0.0 111.201 -175.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -156.0 46.96 0.47 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.298 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 m -120.14 161.76 20.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.236 -175.554 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 59.12 31.04 20.95 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.471 0.482 . . . . 0.0 112.28 175.489 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.06 27.5 73.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.451 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -104.81 146.02 29.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.98 0.419 . . . . 0.0 110.519 178.43 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.1 m -74.45 171.22 14.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.277 -178.79 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 61' ' ' SER . 19.8 m -77.98 -5.94 52.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.216 -176.318 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -95.31 149.22 21.58 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 175.339 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.09 115.62 4.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 -176.456 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 28.9 p90 -77.45 166.85 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.607 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.05 27.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.093 -171.66 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -134.1 65.09 68.42 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -177.163 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -92.34 -13.3 1.59 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.687 2.258 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.82 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 12.4 p -75.43 7.17 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.105 -175.864 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -82.62 -19.31 38.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.159 0.504 . . . . 0.0 110.188 178.731 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.13 14.48 23.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.338 -175.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 82' ' ' GLN . 43.7 m -53.54 -36.71 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.288 179.522 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.83 -37.78 83.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.822 -178.524 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.55 -47.39 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.814 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 132' ' ' CYS . 23.4 m -59.89 -41.98 92.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.389 179.156 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 78' ' ' SER . 98.6 mt-30 -62.36 -43.02 99.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.166 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -73.91 -13.89 60.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.471 -178.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -94.29 10.08 35.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.611 172.37 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 62.41 38.74 12.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.335 -178.895 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.3 m -118.64 174.96 5.96 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.109 178.323 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -86.81 -109.52 0.85 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.185 -177.041 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -102.16 153.68 37.89 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.543 0.211 . . . . 0.0 111.011 -174.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 61.3 Cg_endo -82.25 104.99 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.646 2.23 . . . . 0.0 111.483 175.269 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.96 -36.98 75.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.414 -176.266 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.9 m -154.74 149.48 26.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.138 -178.541 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 130' ' ' LEU . 9.1 tt -148.59 117.73 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.075 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.74 -143.95 10.73 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -62.03 99.56 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.191 1.928 . . . . 0.0 111.763 178.253 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 75.2 t80 -97.63 -56.51 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.13 -178.367 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 30.6 mt -129.61 -178.76 4.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.028 178.425 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 61.2 mttp -123.76 57.36 1.19 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.15 0.5 . . . . 0.0 110.25 -175.793 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -67.48 -46.33 73.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.457 178.694 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 39.5 m-85 53.15 82.82 0.07 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.879 179.333 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.3 m -109.0 86.98 4.24 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 99' ' ' TYR . 7.8 Cg_exo -73.39 53.27 2.57 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.455 2.77 . . . . 0.0 112.778 -174.474 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -156.73 -59.9 0.09 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.302 176.123 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -82.86 -12.37 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.121 -177.342 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.442 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 27.2 t -69.84 139.44 53.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.471 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.61 HD13 HD11 ' A' ' 52' ' ' LEU . 31.6 pt -123.57 129.63 74.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.293 0.568 . . . . 0.0 111.671 -177.306 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.0 mt -96.82 119.23 44.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 167.948 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 6.4 t -109.72 136.57 48.85 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.126 0.489 . . . . 0.0 110.848 -174.686 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -105.28 149.91 25.61 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.102 -178.631 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.82 -139.49 10.78 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.144 -179.178 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.954 HE21 ' HA ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -109.86 134.66 51.82 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.826 -0.22 . . . . 0.0 110.699 -178.688 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.95 103.22 0.05 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.932 0.77 . . . . 0.0 110.796 177.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.669 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 134.01 -20.94 3.98 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.337 -177.104 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 9.5 t -127.04 126.05 42.42 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 -178.221 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -90.51 71.93 6.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.396 0.617 . . . . 0.0 109.378 176.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -82.83 -59.84 2.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.421 -176.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -117.45 78.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.574 -173.515 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 23.6 m -96.6 132.34 42.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.847 0.356 . . . . 0.0 110.135 -177.667 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.8 m -111.54 138.98 47.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.134 0.492 . . . . 0.0 111.549 -176.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -71.65 110.68 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.471 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.0 m -112.81 132.21 55.36 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.251 0.548 . . . . 0.0 112.206 -168.115 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -99.53 46.56 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.644 175.567 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -109.96 144.93 37.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.18 0.514 . . . . 0.0 111.927 -174.061 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -120.28 4.63 10.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.122 173.003 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mtt -80.33 -8.28 59.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.448 0.642 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.52 146.41 37.36 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.566 -179.261 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -90.92 155.34 18.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.956 0.408 . . . . 0.0 110.388 -173.736 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.2 m -73.78 122.55 22.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.713 -177.615 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 61' ' ' SER . 8.2 tt -82.29 125.83 31.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.279 0.562 . . . . 0.0 110.506 -176.297 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -124.78 158.61 19.33 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.792 177.216 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.815 HD13 HD12 ' A' ' 92' ' ' LEU . 58.1 tp -121.99 126.19 48.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.551 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 m -108.44 101.73 10.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.297 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.686 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 58.6 m -102.45 134.25 46.08 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.804 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -65.02 111.22 2.77 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.689 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.249 -179.287 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.67 0.271 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.5 mt -141.92 94.43 2.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.244 178.949 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.3 t -119.52 153.03 35.99 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' HA ' ' CD2' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -74.22 12.27 0.77 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -175.757 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -109.76 -6.15 15.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.984 0.421 . . . . 0.0 109.997 177.443 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 39.9 m-20 -75.54 141.79 73.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.592 -178.889 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 52.8 Cg_exo -52.58 -50.62 13.42 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.732 2.288 . . . . 0.0 112.774 -172.427 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -97.11 20.26 11.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.948 -172.335 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' TRP . 60.1 t80 -64.74 129.71 40.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.881 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.628 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 31.1 mm-40 -103.66 116.69 32.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.784 -175.72 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.35 154.42 40.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.169 178.71 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -152.99 164.0 38.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.402 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -110.21 61.17 0.6 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.94 0.4 . . . . 0.0 110.441 178.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.489 ' HA ' ' OE1' ' A' ' 49' ' ' GLU . 74.0 p 47.69 -163.42 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.283 178.651 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -104.84 39.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.505 176.23 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 p -59.59 -73.38 0.09 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.933 -174.647 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -170.38 -61.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.307 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.614 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 26.7 t -100.77 151.54 21.56 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 175.299 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.894 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -88.23 9.51 22.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 120.796 0.332 . . . . 0.0 110.512 -179.111 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 75.6 m -120.07 12.92 12.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.985 176.605 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.614 ' HG3' ' HB3' ' A' ' 42' ' ' SER . 0.0 OUTLIER -153.37 138.9 17.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.452 173.346 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.77 -151.32 23.51 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.903 178.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HB2' HG21 ' A' ' 38' ' ' THR . 24.9 mp0 -102.13 136.45 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.717 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 tp -78.95 113.04 16.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.534 -175.045 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' A' ' 38' ' ' THR . 48.8 mt-10 -106.4 136.77 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.209 171.27 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -123.85 153.13 29.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.072 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 83.8 t80 -95.47 109.8 21.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.436 178.795 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.5 mt -95.93 -175.58 3.45 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 171.214 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -66.04 -30.29 70.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.264 0.554 . . . . 0.0 109.619 178.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.58 -3.98 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.015 178.411 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.4 -162.36 12.68 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.827 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -80.2 129.16 34.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.548 0.213 . . . . 0.0 110.643 -179.445 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -144.76 151.11 38.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.831 178.944 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.472 ' O ' HG12 ' A' ' 105' ' ' ILE . 77.6 mtp -80.98 144.22 31.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.269 -177.516 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.65 132.76 35.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.654 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 t -90.16 139.9 30.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.76 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.481 ' HA ' HD13 ' A' ' 128' ' ' LEU . 14.5 m -63.89 -19.29 64.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.058 -175.852 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -87.08 54.52 3.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.402 0.62 . . . . 0.0 109.74 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -120.69 153.22 37.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -179.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 57.84 -100.34 0.11 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.742 177.169 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.61 31.82 2.7 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 178.328 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -104.04 125.83 50.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.057 0.456 . . . . 0.0 110.815 -179.489 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 p -95.43 177.29 5.88 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.837 177.062 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.436 ' HA ' ' CG ' ' A' ' 94' ' ' PRO . 72.5 m -79.19 59.94 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 110.165 177.633 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -157.07 168.04 28.64 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -90.12 106.26 18.36 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 26.5 t90 -69.9 150.33 46.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.169 178.399 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.66 -33.57 47.67 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 114.55 -1.204 . . . . 0.0 113.398 -169.207 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.55 85.03 48.39 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 -175.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -82.82 -7.4 11.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.825 2.35 . . . . 0.0 111.967 178.078 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.452 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.2 m -89.13 44.93 1.24 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.622 -174.845 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -11.67 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.358 176.647 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.04 21.74 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.054 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.3 m -56.6 -36.07 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.234 -179.61 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 59.8 tptt -58.65 -42.46 88.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.629 177.745 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.74 -48.67 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.18 179.629 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.9 m -59.12 -37.27 76.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.115 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -66.47 -40.85 89.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 179.308 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 24.7 mmm180 -67.29 -27.24 67.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.768 0.318 . . . . 0.0 110.482 178.354 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 43' ' ' LYS . 61.3 mt -88.81 5.41 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 178.304 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.12 49.4 3.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.181 177.31 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 39.1 m -136.5 176.19 8.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.394 176.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.97 -152.98 9.16 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.985 -177.099 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 6.5 m-20 -71.42 155.56 92.6 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 122.546 0.339 . . . . 0.0 111.28 -174.805 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 10.9 Cg_exo -71.87 116.45 4.71 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.094 2.529 . . . . 0.0 112.111 177.286 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.43 -48.73 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.471 -179.043 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.8 p -142.08 145.74 34.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 -177.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tt -153.15 119.11 5.4 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.84 -153.99 25.18 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.24 -0.981 . . . . 0.0 112.75 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 38.5 Cg_exo -61.66 100.96 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.919 2.412 . . . . 0.0 111.752 179.255 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.814 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 34.5 t80 -94.5 -37.75 11.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -175.894 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.76 136.42 46.33 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.936 -176.762 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.794 ' HA ' ' HD2' ' A' ' 126' ' ' HIS . 0.0 OUTLIER -89.13 60.3 5.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.009 0.909 . . . . 0.0 109.561 174.515 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.0 m -65.88 -44.12 86.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.163 -174.454 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 53.13 61.7 3.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.09 0.471 . . . . 0.0 110.81 -175.767 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.0 m -148.03 97.39 3.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.012 0.434 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 123' ' ' ASP . 87.9 Cg_endo -84.13 48.25 2.46 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.812 2.341 . . . . 0.0 112.364 -178.928 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -127.33 28.36 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.062 0.458 . . . . 0.0 110.003 -178.759 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 t -174.43 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.991 -179.334 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.0 p -83.11 149.24 27.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.231 -178.748 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 58' ' ' MET . 29.3 pt -126.85 150.86 33.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.208 178.391 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.3 mt -110.03 124.2 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.807 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 1.7 t -106.76 147.6 29.45 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.11 -177.163 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -118.22 152.81 34.99 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -177.671 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.07 -128.72 7.15 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.488 -179.422 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -112.77 139.07 48.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.518 0.199 . . . . 0.0 110.622 -176.602 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.41 114.11 1.14 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.122 179.398 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.6 -7.12 31.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.325 -179.563 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 t -109.46 117.54 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.076 0.465 . . . . 0.0 110.512 178.056 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.12 46.1 0.93 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.785 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.6 p -63.33 -52.93 59.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.723 -174.599 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -144.73 95.46 2.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.184 0.516 . . . . 0.0 110.073 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 5.6 m -99.79 146.66 26.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.715 179.608 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -112.2 142.59 44.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -175.299 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -74.68 109.46 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.681 177.845 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -63.01 127.1 29.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.504 -176.115 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -102.1 8.23 40.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.333 0.587 . . . . 0.0 110.23 175.061 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -109.77 134.55 51.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 3.8 p30 -78.23 -7.98 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.028 -177.256 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.0 tpt -72.94 78.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.642 175.63 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 t -146.4 142.68 28.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.057 -175.821 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.794 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 28.2 m170 -117.68 132.97 56.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.049 175.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.2 m -70.25 126.68 30.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 61' ' ' SER . 24.1 tp -71.66 116.83 12.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.173 -178.397 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.814 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -105.61 139.97 14.92 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.117 -179.482 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 62.2 tp -126.17 136.45 52.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 44.9 m -132.13 108.3 9.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.58 177.561 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 27.1 m -99.83 143.24 30.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.783 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.42 103.86 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 111.532 -177.406 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.7 176.126 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.784 0.326 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' H ' ' HB2' ' A' ' 115' ' ' SER . 97.0 mt -131.08 68.94 1.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.718 176.07 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 32.7 t -100.32 157.3 16.71 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -177.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.49 13.78 0.9 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.033 0.444 . . . . 0.0 111.347 178.774 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -106.77 -2.96 20.97 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.032 171.001 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.99 124.54 74.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.329 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.73 -17.78 60.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.111 2.541 . . . . 0.0 112.627 -176.793 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -106.33 19.26 20.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.291 179.125 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.28 121.38 20.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.968 177.453 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.65 112.84 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -176.125 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 161.94 39.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.526 179.844 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -141.1 154.46 45.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 44' ' ' CYS . 90.3 mt -107.39 137.49 45.33 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 171.455 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.0 p -56.28 141.4 41.6 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.589 -176.128 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -72.12 78.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.01 179.11 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.4 p -88.56 -44.98 10.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.323 -179.307 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -169.66 -34.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.261 -175.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 30.0 t -139.3 144.84 38.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.159 173.931 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -72.63 -0.17 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.732 0.301 . . . . 0.0 110.966 -176.607 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.852 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 79.4 m -112.37 21.35 15.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.478 179.823 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' HG2' ' HB3' ' A' ' 42' ' ' SER . 13.8 pt20 -157.81 132.99 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 110.55 174.749 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.08 -163.44 30.15 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.798 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.69 144.24 49.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.722 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 tp -88.11 112.39 22.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.991 0.424 . . . . 0.0 110.449 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.77 124.68 52.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.624 175.813 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.35 154.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -176.153 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -94.6 114.18 26.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.22 -179.679 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 105' ' ' ILE . 88.6 mt -108.45 -177.16 3.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.098 178.211 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.37 -34.6 66.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.088 0.47 . . . . 0.0 110.904 177.328 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -100.5 24.83 8.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -177.215 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.17 -165.36 19.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.259 174.383 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -75.02 134.59 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -136.01 149.28 48.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.832 -179.111 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.439 ' HE2' ' HB3' ' A' ' 58' ' ' MET . 75.5 mtp -86.94 130.44 34.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.2 t -80.84 125.17 39.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.063 0.458 . . . . 0.0 110.439 178.458 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.42 140.46 29.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.098 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.723 ' HA ' HD12 ' A' ' 128' ' ' LEU . 86.2 p -74.05 0.62 13.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.764 0.316 . . . . 0.0 111.762 -175.318 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' OE1' ' HA ' ' A' ' 62' ' ' GLN . 7.7 mm-40 -88.51 10.65 19.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.071 176.27 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.5 m -82.06 134.82 35.37 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.339 179.221 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.9 m-90 70.56 -44.69 0.58 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.937 0.895 . . . . 0.0 111.13 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.78 162.89 31.05 Favored Glycine 0 N--CA 1.437 -1.278 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 174.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -79.5 87.99 5.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.387 0.594 . . . . 0.0 110.079 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.644 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 11.7 m -79.91 69.23 6.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.873 -176.064 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -83.96 -11.11 57.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.802 0.811 . . . . 0.0 109.2 171.181 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -122.36 161.31 23.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.894 177.212 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -85.07 136.86 33.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.355 . . . . 0.0 110.579 -178.43 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -85.94 137.13 32.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.107 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -87.85 23.0 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.632 0.729 . . . . 0.0 110.846 -176.772 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' HE21 ' A' ' 76' ' ' GLN . 25.7 t0 -131.92 70.35 80.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.408 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -83.81 -15.94 6.79 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.337 2.025 . . . . 0.0 113.138 -172.321 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 15.1 m -78.58 22.99 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.16 0.505 . . . . 0.0 111.468 -175.865 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.402 HE21 ' CG ' ' A' ' 73' ' ' ASP . 87.6 mm-40 -77.79 -21.96 50.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.111 0.481 . . . . 0.0 109.847 175.032 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.04 35.16 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.437 -177.278 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.4 m -59.79 -40.2 87.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.566 -178.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 38.5 mmtm -62.6 -29.69 70.79 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.734 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.56 -50.5 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.527 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 70.1 m -60.67 -35.14 75.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.676 177.074 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -36.71 84.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.695 178.168 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 13.9 mmm180 -67.4 -35.27 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.538 0.209 . . . . 0.0 110.614 178.461 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.09 -0.43 54.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.621 177.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 66.0 t30 61.63 52.01 3.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.809 178.574 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.7 m -127.03 -179.58 4.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.02 -170.41 33.06 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.621 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.4 t70 -69.72 146.04 95.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.355 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 53.2 Cg_exo -47.58 125.05 10.4 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.749 2.966 . . . . 0.0 113.051 178.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.59 -44.91 10.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.441 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 m -145.56 150.41 36.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.657 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.76 HD12 HD13 ' A' ' 130' ' ' LEU . 10.3 tt -147.99 134.98 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.474 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.82 -153.87 25.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.899 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.81 109.79 2.2 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.148 1.899 . . . . 0.0 111.453 178.328 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.828 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 38.1 t80 -94.09 -53.44 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.862 -173.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.71 ' HG ' ' H ' ' A' ' 97' ' ' LYS . 23.8 tp -144.96 -178.71 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.851 -176.045 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.71 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 96.1 mttt -133.32 86.43 2.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 178.555 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.2 m -81.96 -26.64 33.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.306 -178.398 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 79.1 m-85 52.75 67.45 0.99 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 178.692 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.7 m -124.78 81.49 61.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.629 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.43 -40.63 53.58 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.632 2.888 . . . . 0.0 114.331 -171.325 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.4 -41.12 96.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 0.0 111.222 -178.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 m -89.06 -28.62 20.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.788 -173.1 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 34.3 p -75.18 140.79 43.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.848 0.356 . . . . 0.0 111.335 -177.938 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.648 HD13 HD11 ' A' ' 52' ' ' LEU . 37.6 pt -129.47 153.18 38.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.6 mt -117.87 124.75 73.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.77 174.118 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -98.57 150.27 21.89 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.198 179.292 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -149.93 166.71 28.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.431 179.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 101.63 -81.38 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.785 179.627 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.36 127.15 48.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.731 0.301 . . . . 0.0 110.771 -176.403 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.89 125.2 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.932 -177.584 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.633 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 95.9 -16.66 60.74 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.768 177.498 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 t -88.59 105.08 17.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.014 0.435 . . . . 0.0 110.521 -178.217 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.483 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 98.1 m-85 -90.88 16.43 9.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.257 179.164 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.421 ' HB2' ' H ' ' A' ' 26' ' ' LEU . 7.0 t -95.4 2.11 54.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.726 -179.905 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -138.97 69.86 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 0.0 109.323 -178.731 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 13.4 m -131.41 166.15 21.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.373 -176.162 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 21.9 m -148.68 140.16 23.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.395 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -80.84 68.93 7.28 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.047 0.927 . . . . 0.0 111.268 -178.509 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.2 t -69.59 112.75 6.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.85 177.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -82.35 72.4 9.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.017 -176.357 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.17 164.14 11.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.048 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -106.27 28.51 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.455 0.645 . . . . 0.0 110.487 -177.567 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.2 mtt -122.76 24.98 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 176.513 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 44.5 t -91.96 120.79 32.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.678 -171.723 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.476 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 45.6 m80 -107.42 136.34 47.37 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 175.038 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -76.92 120.41 22.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.994 0.426 . . . . 0.0 110.59 -175.045 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.7 tt -76.99 134.0 38.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.536 -177.269 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.828 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -129.65 154.35 20.38 Favored Glycine 0 N--CA 1.439 -1.111 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.637 -178.26 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.76 HD13 HD12 ' A' ' 92' ' ' LEU . 57.7 tp -124.12 132.09 53.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.909 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.5 m -113.57 102.68 10.51 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.198 178.521 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.852 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 62.8 m -86.35 148.08 25.76 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.388 179.364 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 tt -73.61 94.55 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.776 -178.263 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 115' ' ' SER . 88.4 mt -138.25 105.75 5.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.854 0.359 . . . . 0.0 110.591 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 29' ' ' TYR . 69.1 p -132.49 164.9 25.55 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.23 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.63 28.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.727 178.716 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' SER . 3.2 m-85 -132.9 12.8 4.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.474 173.633 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.3 m-20 -99.74 139.96 21.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.813 176.336 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 18.7 Cg_exo -66.28 -13.45 39.92 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.096 2.531 . . . . 0.0 112.333 -179.434 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.34 -6.91 57.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 178.311 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -80.16 116.87 20.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.019 0.438 . . . . 0.0 110.777 -176.202 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -119.87 135.01 55.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.077 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -142.31 156.24 45.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.735 -178.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' HG2' ' CZ3' ' A' ' 56' ' ' TRP . 8.6 ptp180 -147.27 155.64 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.405 178.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -112.84 91.2 3.57 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 175.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 p -58.17 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -160.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -137.33 90.55 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 111.265 -173.067 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.6 p -118.21 -71.43 0.74 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.254 0.55 . . . . 0.0 110.275 176.547 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.94 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.908 -178.803 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 32.5 t -129.64 168.08 17.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.348 178.572 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -97.57 -1.24 44.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.431 -174.078 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 134' ' ' GLU . 76.5 m -117.04 18.15 14.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.936 0.398 . . . . 0.0 110.624 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.573 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 1.4 pp0? -161.81 146.12 12.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 177.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.72 28.06 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.937 -1.125 . . . . 0.0 112.85 176.478 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HG3' HD12 ' A' ' 96' ' ' LEU . 85.6 mt-30 -66.69 124.46 22.95 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.71 0.291 . . . . 0.0 110.455 179.138 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 tp -82.36 106.45 14.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.5 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -109.33 125.32 52.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.686 174.288 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.69 151.96 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.561 -177.471 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -95.24 119.14 33.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.11 -179.495 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.5 mt -114.84 -173.04 2.23 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.35 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -46.41 -45.11 17.74 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.149 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -100.03 17.61 20.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.042 0.448 . . . . 0.0 111.463 -173.472 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.28 -161.6 12.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.611 175.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 98.5 m95 -77.57 141.24 39.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -176.384 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -142.06 144.32 33.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.29 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.482 ' HB2' ' HA ' ' A' ' 104' ' ' SER . 79.5 mtp -80.73 125.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.987 179.524 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.84 124.61 35.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 110.546 -179.575 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.6 t -91.54 135.91 33.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.551 178.452 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -69.76 -8.88 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.042 0.449 . . . . 0.0 111.253 -177.445 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.76 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 11.1 mm-40 -77.54 -7.67 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 177.472 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -66.95 150.5 49.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.801 -179.684 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.3 m0 73.14 -53.6 0.7 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.063 172.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.77 41.79 0.46 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.883 -1.151 . . . . 0.0 114.004 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.76 ' HA ' ' HA ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER 37.76 83.8 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.352 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.0 m -102.92 110.71 22.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -97.36 -12.41 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -102.92 165.88 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.278 178.056 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.507 ' CD ' ' H ' ' A' ' 70' ' ' GLN . 0.4 OUTLIER -91.2 150.67 21.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.994 179.797 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -97.18 140.27 31.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.618 -178.649 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.33 -19.07 47.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.766 -178.486 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -126.82 90.4 49.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 -177.561 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -96.56 18.59 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 123.241 2.627 . . . . 0.0 112.355 177.498 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 6.6 m -71.04 -1.45 12.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.814 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.42 -6.04 55.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.257 0.551 . . . . 0.0 110.514 174.623 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.41 10.79 40.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.904 -178.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -56.05 -32.96 64.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 45.2 mmtm -67.32 -32.45 73.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.087 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.2 t -65.31 -48.53 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.291 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.1 m -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.147 176.67 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -45.28 95.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.061 178.819 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 23.9 mmm180 -66.89 -22.75 65.96 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.779 -178.707 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.47 0.44 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.793 175.138 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 65.5 t30 59.09 42.48 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -178.252 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 86.1 m -114.06 172.46 6.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.658 177.697 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.65 -164.57 31.48 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.066 -177.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.62 149.09 64.06 Favored Pre-proline 0 C--N 1.324 -0.533 0 C-N-CA 122.893 0.477 . . . . 0.0 111.936 -176.112 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 65.1 Cg_endo -76.3 129.59 11.32 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.09 2.527 . . . . 0.0 112.398 -179.412 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.538 HD11 HD23 ' A' ' 133' ' ' LEU . 81.6 mt -98.09 -43.02 7.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.558 -176.09 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.441 ' O ' HD12 ' A' ' 130' ' ' LEU . 45.9 m -148.37 148.86 30.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 111.223 -176.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 130' ' ' LEU . 23.1 tp -141.37 131.71 25.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.536 178.246 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.91 -173.07 41.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.249 178.232 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.98 99.56 0.28 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.646 2.231 . . . . 0.0 111.256 176.331 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HD2' ' HG ' ' A' ' 96' ' ' LEU . 67.0 t80 -86.9 -38.79 16.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -173.86 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' HG3' ' A' ' 47' ' ' GLN . 90.1 mt -131.89 150.69 52.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 -177.751 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -110.04 83.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.537 178.879 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -89.34 -31.65 17.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.085 -174.278 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 47.29 65.76 1.18 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 111.566 -176.849 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 m -129.95 90.5 42.49 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.013 0.435 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -78.42 63.7 8.43 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.429 2.753 . . . . 0.0 112.132 -175.73 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -141.04 -72.52 0.35 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.448 -179.481 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 m -81.01 -16.83 52.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.182 -176.732 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 58' ' ' MET . 52.9 p -77.89 147.63 34.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.064 0.459 . . . . 0.0 110.917 -177.112 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.02 139.89 49.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 tt -107.77 121.66 61.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 170.589 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.02 153.95 23.88 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.661 -174.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.08 148.51 48.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.449 -179.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.35 -96.01 0.2 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.819 -177.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -140.27 158.88 43.35 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.677 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.83 116.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.318 -177.506 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.85 3.28 64.21 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.919 177.53 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.6 t -91.9 126.21 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.819 0.343 . . . . 0.0 110.5 178.734 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.514 ' HA ' ' SG ' ' A' ' 117' ' ' CYS . 93.1 m-85 -124.89 23.49 7.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 178.15 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 26' ' ' LEU . 8.3 t -76.79 -22.86 53.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.21 -172.686 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -149.56 88.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.471 0.653 . . . . 0.0 110.082 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 4.5 m -122.52 159.11 28.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.562 -177.678 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -129.66 144.63 51.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.49 0.186 . . . . 0.0 110.51 -179.59 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.58 125.45 26.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 110.075 179.707 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.1 p -76.68 110.85 11.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.98 -173.074 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -94.85 -14.88 24.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.169 0.509 . . . . 0.0 109.982 175.655 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -92.02 117.33 29.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.331 174.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -78.91 64.47 3.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 111.817 -171.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.1 mmt -109.34 23.97 13.74 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 171.167 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -97.42 143.91 27.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.789 -164.75 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -127.24 134.3 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 171.302 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.1 m -76.98 120.89 22.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.031 0.443 . . . . 0.0 111.329 -173.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 tp -76.49 135.01 39.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.04 -178.956 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -131.76 150.96 19.64 Favored Glycine 0 N--CA 1.438 -1.174 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.642 177.648 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.598 HD13 HD13 ' A' ' 92' ' ' LEU . 63.4 tp -123.24 137.56 54.84 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.613 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.0 m -112.03 111.97 23.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.327 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 26.6 m -109.16 153.63 23.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.046 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.538 HD23 HD11 ' A' ' 90' ' ' LEU . 32.2 mt -56.41 122.89 12.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.584 ' HG2' ' HB2' ' A' ' 44' ' ' CYS . 15.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.663 -0.684 . . . . 0.0 110.219 -179.455 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -138.13 90.69 2.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.477 -178.076 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.5 m -148.75 155.75 41.4 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 174.698 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.88 21.79 0.3 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -173.059 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -116.09 -0.95 12.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 174.245 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.74 143.61 30.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.56 -25.09 15.4 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.948 2.432 . . . . 0.0 112.252 -177.109 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -93.61 -1.95 54.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -90.98 99.16 12.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.139 0.495 . . . . 0.0 111.142 -178.308 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.57 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.907 179.721 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD21 ' A' ' 84' ' ' LEU . 4.4 ptp180 -143.53 157.68 44.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.031 0.444 . . . . 0.0 110.376 -178.486 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.7 mt -102.21 120.46 40.5 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 168.691 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.5 p -57.71 152.35 15.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.632 0.73 . . . . 0.0 112.846 -169.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -70.14 55.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.212 176.661 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.5 m -95.84 -27.24 15.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.197 -177.831 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -161.2 -65.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.053 0.454 . . . . 0.0 110.635 -177.893 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' A' ' 45' ' ' GLN . 35.1 t -136.38 155.49 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.116 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 84' ' ' LEU . 12.6 pttm -70.79 -11.72 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.543 -176.368 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.481 ' HB2' ' OE2' ' A' ' 134' ' ' GLU . 77.6 m -106.97 -5.85 17.9 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.252 -178.087 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CG ' ' HB3' ' A' ' 42' ' ' SER . 12.4 pt20 -151.48 114.81 4.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.528 0.68 . . . . 0.0 111.267 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' HA2' ' A' ' 129' ' ' GLY . . . -176.52 -153.0 10.18 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.007 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.516 HE21 ' HB2' ' A' ' 96' ' ' LEU . 72.2 mt-30 -85.76 135.93 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.575 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 tp -76.78 112.58 13.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 0.0 110.076 178.738 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -115.37 128.97 56.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.285 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -119.46 147.54 23.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.025 0.441 . . . . 0.0 111.386 -174.875 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -92.02 118.27 30.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.602 178.437 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -109.29 174.14 6.0 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.386 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -54.74 -38.05 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -173.528 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -101.12 26.73 6.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -176.291 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.83 -175.97 16.82 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.832 172.485 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -89.05 137.28 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 -179.591 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -132.96 143.98 49.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.276 -179.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.88 139.04 37.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.47 131.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.114 0.483 . . . . 0.0 110.59 179.522 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.4 t -96.77 148.05 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.666 178.112 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.6 p -66.23 -13.09 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 -177.915 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' A' ' 66' ' ' ARG . 78.2 mm-40 -81.84 11.97 4.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 111.287 -179.457 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.4 m -82.11 144.99 30.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.305 178.619 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 65.85 9.85 6.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.453 0.701 . . . . 0.0 111.447 179.366 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.69 151.43 5.46 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HA ' ' OE1' ' A' ' 62' ' ' GLN . 1.3 mpp_? -78.99 84.7 4.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.343 0.592 . . . . 0.0 111.225 -178.816 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 129.6 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 174.484 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 p -89.49 -22.68 22.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.487 -176.121 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -108.11 -81.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.43 -177.297 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.93 173.08 13.22 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 -174.522 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -102.68 157.49 16.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.323 177.147 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -72.24 -15.97 61.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.817 -167.399 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.531 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 6.4 t70 -138.81 87.62 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.015 -177.586 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -71.53 -21.46 25.83 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.845 2.363 . . . . 0.0 111.8 176.273 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 p -69.87 -3.71 17.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.244 -177.617 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 12.6 mm-40 -80.37 -17.5 51.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 172.941 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.37 7.54 45.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.427 -175.138 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 m -55.98 -33.99 65.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.342 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 47.2 mmtm -65.21 -34.37 78.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.306 179.858 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.4 t -64.67 -44.47 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.9 m -59.03 -38.85 80.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.12 -38.63 91.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.498 178.122 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 25.2 mmm-85 -65.82 -26.16 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.331 178.84 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 36' ' ' ARG . 4.5 mm? -92.82 2.14 56.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.244 177.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 64.56 46.99 3.05 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.446 0.641 . . . . 0.0 110.47 -178.273 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.52 179.58 5.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.255 179.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.55 -164.71 38.25 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.457 -179.546 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.6 151.14 53.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 122.773 0.429 . . . . 0.0 112.021 -176.38 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.95 117.73 2.29 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.239 2.626 . . . . 0.0 112.979 179.501 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -76.21 -31.05 58.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.05 179.64 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.7 m -154.62 152.38 29.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.239 -176.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 130' ' ' LEU . 25.6 tp -141.57 90.66 2.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.256 -0.883 . . . . 0.0 108.812 178.564 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 128' ' ' LEU . . . -161.81 -113.87 0.31 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.304 -0.951 . . . . 0.0 113.001 -175.601 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -95.9 159.92 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.845 2.363 . . . . 0.0 112.83 -179.365 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 49.0 t80 -142.18 -60.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.058 0.456 . . . . 0.0 110.077 175.019 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.614 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 87.8 mt -125.19 143.5 50.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.856 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.614 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 10.0 mtmp? -92.71 70.05 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.995 179.36 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 m -71.59 -38.2 70.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.985 -178.378 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 97' ' ' LYS . 76.8 m-85 50.79 44.41 27.94 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.863 0.363 . . . . 0.0 111.907 -178.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.4 m -116.4 90.05 28.79 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 121.144 0.497 . . . . 0.0 109.895 177.374 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.99 69.82 3.75 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 123.363 2.709 . . . . 0.0 112.23 -177.581 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -166.85 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.068 178.312 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 p -72.26 -39.78 68.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.476 179.236 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.4 p -88.53 126.88 35.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.283 175.734 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.2 159.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.332 -176.14 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -113.55 114.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.655 176.404 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 114' ' ' PHE . 71.7 m -99.03 146.8 25.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.386 179.559 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -145.87 160.73 41.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 110.967 178.239 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 137.36 -82.01 0.27 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -176.049 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -138.65 143.51 39.26 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.024 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -57.41 110.44 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.301 0.376 . . . . 0.0 110.621 179.315 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.78 -16.27 28.51 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.95 -178.384 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -96.2 142.67 28.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HD2' ' SG ' ' A' ' 107' ' ' CYS . 85.5 m-85 -124.53 27.75 6.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.411 179.26 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.3 m -62.46 -32.47 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.03 -174.706 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -136.24 108.62 7.34 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.032 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 23.5 m -128.05 147.45 50.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.149 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.7 m -128.59 157.77 40.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -68.58 133.05 47.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 176.43 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.8 t -58.31 121.6 11.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.857 -172.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 121' ' ' ARG . 1.6 mmp_? -105.25 0.36 27.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.765 176.27 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -107.69 122.56 46.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.857 -173.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.83 38.96 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.965 0.888 . . . . 0.0 111.0 -176.257 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 65.6 mtt -120.39 18.29 12.16 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.21 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.52 110.91 9.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.658 -171.617 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -99.86 134.57 42.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.246 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 m -66.36 116.58 7.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.152 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 93' ' ' GLY . 8.8 tt -62.58 124.93 22.25 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.747 0.654 . . . . 0.0 111.035 -171.581 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -108.19 119.78 5.8 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.994 -179.618 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.673 HD13 HD13 ' A' ' 92' ' ' LEU . 50.5 tp -104.4 115.5 30.48 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.035 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.0 m -101.26 94.54 6.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 -177.103 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.489 ' SG ' ' HG ' ' A' ' 130' ' ' LEU . 12.5 m -99.2 150.08 22.43 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.141 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.21 127.78 33.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.481 ' OE2' ' HB2' ' A' ' 44' ' ' CYS . 20.3 mp0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.739 169.915 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.719 0.295 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -134.44 82.97 2.0 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.3 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 112' ' ' GLY . 1.5 m -113.33 155.48 25.1 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.24 22.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 111.236 175.687 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' HE1' ' HA ' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -120.54 -4.97 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.964 174.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 8.6 m-20 -75.77 129.45 81.32 Favored Pre-proline 0 CA--C 1.519 -0.218 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.108 178.625 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 83.5 Cg_exo -48.36 -44.62 28.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 123.389 2.726 . . . . 0.0 113.972 -169.237 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.03 25.67 10.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.354 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -71.4 107.53 4.38 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 173.847 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 72.4 mt-30 -75.14 118.65 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.062 0.458 . . . . 0.0 111.252 -175.35 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.83 149.54 31.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.126 178.13 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 36' ' ' ARG . 5.1 ptp180 -139.07 155.73 47.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.092 0.472 . . . . 0.0 110.236 179.763 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -101.33 130.72 47.55 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 170.699 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -66.42 167.95 9.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.086 0.47 . . . . 0.0 111.351 -174.382 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -81.83 47.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.648 -173.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 m -67.71 -33.29 74.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -154.58 -50.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.333 174.947 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.1 t -160.5 170.1 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.966 177.311 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.766 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.62 -3.17 20.08 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.841 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 88.6 m -105.75 5.59 31.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.507 178.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 2.6 pt20 -162.25 123.86 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.986 176.433 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.45 -160.7 34.35 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.332 179.495 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.7 131.08 41.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD23 HD23 ' A' ' 128' ' ' LEU . 53.9 tp -78.63 115.0 18.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.086 0.47 . . . . 0.0 110.49 179.176 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -118.95 129.87 55.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' TRP . 35.9 m -120.34 153.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.959 0.409 . . . . 0.0 111.595 -173.278 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 87.8 t80 -97.5 113.04 24.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.853 175.811 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.51 -168.42 1.63 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.919 178.041 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.812 ' HD3' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -55.31 -41.19 72.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.416 0.627 . . . . 0.0 110.094 177.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -88.33 20.26 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.715 -178.309 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.4 -159.45 28.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.146 173.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.423 ' HA ' ' O ' ' A' ' 50' ' ' VAL . 88.7 m95 -81.75 117.25 21.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.048 0.452 . . . . 0.0 110.655 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.81 142.4 46.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 179.613 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtp -71.62 143.2 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.014 178.488 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -97.77 129.88 47.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.879 0.371 . . . . 0.0 110.477 178.643 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -80.6 136.43 36.24 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.961 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' A' ' 128' ' ' LEU . 50.7 p -66.5 -7.0 16.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.829 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.638 ' HB3' ' HG3' ' A' ' 66' ' ' ARG . 5.9 mm100 -89.6 15.56 9.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.77 -176.489 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.4 m -79.42 143.06 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.275 -177.203 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.47 ' HH2' ' CZ ' ' A' ' 114' ' ' PHE . 4.6 m-90 60.02 17.61 6.87 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.517 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.29 93.65 0.1 Allowed Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.638 ' HG3' ' HB3' ' A' ' 62' ' ' GLN . 35.9 ttp180 -73.45 82.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.5 0.667 . . . . 0.0 110.555 -178.223 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -127.64 142.17 51.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.382 -179.681 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.4 t -90.6 62.29 5.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 176.877 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -140.82 144.71 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.835 -175.344 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.773 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -66.3 129.67 40.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.313 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.483 ' HD1' ' HA2' ' A' ' 93' ' ' GLY . 90.6 m95 -69.43 127.19 32.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.462 0.648 . . . . 0.0 111.396 -175.104 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.82 -23.43 63.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.727 -174.62 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -121.91 88.57 47.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.529 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -82.04 -14.75 9.59 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.851 2.367 . . . . 0.0 112.014 177.123 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 50.7 m -65.95 -21.84 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.739 -175.265 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.593 ' HA ' ' HE1' ' A' ' 29' ' ' TYR . 15.8 mm100 -65.75 -13.04 58.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 176.061 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.12 13.45 27.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.992 0.425 . . . . 0.0 110.892 177.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 40.9 t -56.55 -43.62 80.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.811 -177.609 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -62.2 -27.2 68.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.329 -175.461 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HD23 ' A' ' 84' ' ' LEU . 95.9 t -64.97 -52.14 57.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.09 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 39.2 m -58.52 -39.56 80.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.477 177.833 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 78' ' ' SER . 31.9 mm-40 -62.14 -47.22 85.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.638 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -70.04 -21.49 63.17 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.698 0.285 . . . . 0.0 111.726 179.708 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 80' ' ' VAL . 3.9 mm? -82.58 -3.15 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.577 173.515 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 66.94 31.79 6.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -178.205 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 21.8 m -102.59 -174.69 2.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.25 175.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.58 -143.45 10.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.511 179.193 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.44 153.01 87.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.735 0.302 . . . . 0.0 110.813 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 57.7 Cg_endo -78.69 114.48 3.46 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.932 2.421 . . . . 0.0 111.935 177.397 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.32 -49.32 13.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.084 -176.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.546 ' HB3' ' OE1' ' A' ' 70' ' ' GLN . 54.1 m -144.53 149.62 36.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 -174.894 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 130' ' ' LEU . 34.5 tp -146.58 140.06 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.373 -179.501 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.483 ' HA2' ' HD1' ' A' ' 71' ' ' TRP . . . 147.11 -157.89 27.55 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.552 178.362 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.31 90.91 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.933 2.422 . . . . 0.0 111.781 177.884 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.917 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 44.6 t80 -73.42 -75.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.978 -177.533 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 95' ' ' PHE . 6.2 mp -130.92 148.08 52.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.584 176.93 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HD2' ' HB3' ' A' ' 124' ' ' MET . 29.0 ttpp -91.6 90.0 7.4 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 m -67.58 -27.11 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.821 176.5 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.448 ' HE2' ' HG2' ' A' ' 124' ' ' MET . 17.3 t80 60.03 74.47 0.44 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.468 0.652 . . . . 0.0 110.7 175.416 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 m -139.91 73.19 33.76 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.987 177.813 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 67.52 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.307 2.671 . . . . 0.0 112.794 -176.148 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -172.58 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.622 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.5 t -85.29 -4.5 59.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.149 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 p -106.33 141.76 37.12 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.545 179.163 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.4 pt -115.24 152.29 16.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.617 178.538 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.8 tt -121.83 127.64 75.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 65.2 m -104.18 147.91 26.91 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.867 -176.674 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -147.25 163.53 36.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 116.05 -115.77 3.45 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.549 -177.533 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.532 ' HB2' ' OG ' ' A' ' 113' ' ' SER . 0.7 OUTLIER -90.67 148.39 22.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.392 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -66.9 111.89 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.989 -175.51 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 27' ' ' SER . . . 102.8 -7.59 53.32 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.605 178.521 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.532 ' OG ' ' HB2' ' A' ' 110' ' ' GLN . 50.4 m -77.73 109.91 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 111.631 -179.565 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.47 ' CZ ' ' HH2' ' A' ' 64' ' ' TRP . 84.4 m-85 -94.59 19.29 10.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.33 0.586 . . . . 0.0 110.007 173.864 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.4 t -91.31 -9.5 44.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.525 -178.025 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -138.07 76.12 1.56 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.647 -178.379 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 114' ' ' PHE . 33.6 m -125.64 148.59 48.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.319 -178.011 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.6 m -132.11 170.32 15.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -73.64 136.52 43.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.595 0.236 . . . . 0.0 110.522 -179.108 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 m -84.31 85.48 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.867 0.365 . . . . 0.0 110.066 179.3 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.473 HH11 ' HD3' ' A' ' 121' ' ' ARG . 14.6 mmm-85 -96.72 38.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -96.49 -164.04 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -176.321 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -70.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.913 -178.83 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.448 ' HG2' ' HE2' ' A' ' 99' ' ' TYR . 62.8 mtt -105.88 86.19 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.608 -177.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.8 t -72.57 122.99 22.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 173.32 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -95.46 137.42 34.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.597 178.298 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.3 m -73.13 125.58 28.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.726 0.298 . . . . 0.0 110.274 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 56.8 tp -67.4 111.71 4.21 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.096 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.917 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -103.95 138.8 14.25 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.984 -177.817 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -123.3 124.51 43.14 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.38 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 42.6 m -108.18 108.81 20.02 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.332 178.838 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 7.9 m -106.22 146.58 30.12 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.87 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.56 125.03 20.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.697 0.284 . . . . 0.0 110.77 176.701 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.807 179.914 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.662 0.268 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.6 tp -166.7 69.06 0.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 173.993 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 113' ' ' SER . 4.0 m -95.93 155.16 16.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.001 -172.674 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -74.92 18.0 0.2 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.207 0.527 . . . . 0.0 111.04 176.413 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.432 ' H ' ' C ' ' A' ' 27' ' ' SER . 76.4 m-85 -110.7 -6.14 14.87 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.021 172.857 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -74.83 138.96 73.28 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.39 -1.06 9.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.992 2.462 . . . . 0.0 112.738 -176.165 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -120.35 14.53 12.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.263 0.554 . . . . 0.0 110.46 178.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -81.85 136.69 35.35 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 179.847 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.46 125.11 39.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.619 -179.153 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.14 161.4 38.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 179.436 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 36' ' ' ARG . 3.9 ptp180 -146.44 164.48 32.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.632 178.587 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.87 122.44 47.54 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 173.028 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.515 ' OG1' ' HB2' ' A' ' 47' ' ' GLN . 16.8 p -64.27 143.68 57.71 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 40' ' ' SER . 26.6 ptt-85 -41.92 -56.12 2.87 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -168.118 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.478 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 23.7 t 58.88 -78.66 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 110.68 -174.251 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -143.6 -40.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 174.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -125.62 146.16 49.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.534 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.628 ' HD3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.06 23.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -171.932 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 132' ' ' CYS . 47.5 t -138.92 10.66 2.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.703 0.763 . . . . 0.0 110.181 178.912 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.02 135.41 15.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.8 177.515 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 158.46 -161.15 31.52 Favored Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 119.52 -1.324 . . . . 0.0 112.83 178.577 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.515 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 1.5 mp0 -73.15 130.86 41.19 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 -179.349 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.4 tp -73.52 122.75 22.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.36 -178.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -122.48 125.84 46.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.9 m -118.09 150.75 20.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.005 0.431 . . . . 0.0 111.241 -174.372 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -94.44 106.18 18.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.842 178.363 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -96.32 -172.74 2.6 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.684 ' H ' ' HD2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -63.46 -33.0 74.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 -179.639 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -72.57 -45.44 59.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.957 176.805 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 156.29 -156.01 26.76 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.479 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 36' ' ' ARG . 97.2 m95 -81.16 116.49 21.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 -178.81 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.86 142.42 50.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.809 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 80.0 mtp -76.43 146.42 38.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.951 178.277 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -101.64 131.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.083 0.468 . . . . 0.0 110.849 -179.642 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.18 144.83 25.21 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.969 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.562 ' OG ' ' HB2' ' A' ' 126' ' ' HIS . 95.5 p -75.88 12.36 1.12 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.91 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 66' ' ' ARG . 29.6 mm-40 -94.65 7.1 46.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.078 0.466 . . . . 0.0 109.925 175.18 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 107' ' ' CYS . 50.4 m -81.92 129.78 34.87 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.904 -177.87 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 68.42 -62.65 0.37 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 -178.363 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.49 134.63 11.03 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 3.2 mpt_? -77.65 83.29 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.743 0.782 . . . . 0.0 109.407 -177.456 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 m -82.69 83.41 7.67 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.2 -170.328 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.3 m -79.81 -25.33 40.91 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 165.13 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -118.94 166.07 13.3 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.243 -1.344 . . . . 0.0 107.777 174.484 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -91.3 139.52 30.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.743 0.306 . . . . 0.0 111.112 -174.134 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -85.55 146.57 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.986 177.303 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.97 56.94 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.947 0.403 . . . . 0.0 111.451 -174.439 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 9.4 t70 -156.25 81.13 3.7 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.986 174.533 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.51 -7.5 13.73 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.855 2.37 . . . . 0.0 111.799 177.087 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.4 t -59.46 -31.88 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.034 -178.238 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.47 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 84.3 mm-40 -60.58 -26.85 67.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 111.214 178.937 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.6 8.79 44.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.619 -175.023 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.434 ' HA ' ' HG3' ' A' ' 89' ' ' PRO . 34.4 t -58.85 -33.88 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.077 179.723 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 83' ' ' ARG . 43.7 mmtm -63.65 -41.84 98.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.085 177.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.01 -46.13 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -179.208 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 98.1 m -58.58 -38.37 77.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 177.115 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.14 -43.94 93.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.185 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 79' ' ' LYS . 21.0 mmm180 -67.04 -24.6 66.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.9 -178.817 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 3.25 55.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.311 177.834 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 t30 60.41 46.83 9.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.909 0.862 . . . . 0.0 110.354 -178.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.9 174.25 6.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.22 -149.11 3.26 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.701 177.27 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.47 155.7 92.35 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.612 0.244 . . . . 0.0 110.951 178.46 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 2.0 Cg_endo -80.48 120.84 4.09 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.094 2.53 . . . . 0.0 111.839 178.231 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -80.16 -49.95 10.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.862 -178.37 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.9 p -144.96 149.56 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.03 -176.31 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 130' ' ' LEU . 26.9 tp -146.5 126.55 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.872 179.675 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.31 -144.66 14.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.228 178.276 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -71.49 85.75 0.88 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.369 2.046 . . . . 0.0 111.536 178.062 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.55 ' HB3' ' HA3' ' A' ' 129' ' ' GLY . 77.7 t80 -84.6 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.728 -175.667 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 127' ' ' SER . 41.1 tp -134.3 148.69 50.82 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 -177.126 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HD2' ' ND1' ' A' ' 126' ' ' HIS . 3.5 mppt? -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 177.413 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.6 m -72.74 -31.39 64.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 170.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.4 t80 55.63 70.05 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.582 172.24 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 30.2 m -150.14 81.37 6.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.96 64.29 2.51 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.92 2.413 . . . . 0.0 112.505 -179.044 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.457 ' HA ' ' HE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -145.0 -58.21 0.35 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.526 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -74.45 -18.05 60.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.597 178.189 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 p -96.87 144.11 27.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 pt -116.11 164.58 12.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.22 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -123.22 133.55 68.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 175.819 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 3.0 t -123.21 158.19 31.39 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.734 -175.235 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -148.19 165.41 31.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 179.487 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.78 -124.03 4.48 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -173.711 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -99.76 135.05 41.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.877 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.6 tp -54.41 111.35 0.77 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.955 -176.451 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 106.93 -4.11 36.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.673 177.858 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.607 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 4.1 t -117.09 118.97 33.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.107 0.479 . . . . 0.0 110.719 -179.731 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.406 ' HA ' ' SG ' ' A' ' 107' ' ' CYS . 97.9 m-85 -86.11 51.54 2.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.855 178.646 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.5 m -72.54 -37.68 68.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.037 -174.915 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -143.38 95.13 2.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.257 179.879 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 9.3 m -108.74 160.24 16.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.895 -179.902 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.9 m -144.63 172.27 13.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.457 ' HE1' ' HA ' ' A' ' 102' ' ' GLN . 72.4 t60 -66.61 140.26 57.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.593 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -64.93 99.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.311 0.576 . . . . 0.0 111.399 -176.723 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -96.12 17.43 15.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.295 175.226 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -104.37 120.52 41.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.083 -177.802 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.44 -31.23 72.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.687 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 79.4 mtp -93.07 63.73 3.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.161 0.505 . . . . 0.0 109.79 176.563 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.6 t -87.87 98.3 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.375 0.607 . . . . 0.0 110.799 -179.119 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.562 ' HB2' ' OG ' ' A' ' 61' ' ' SER . 17.7 m-70 -87.69 133.3 33.86 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.622 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 96' ' ' LEU . 15.0 m -68.81 129.84 41.08 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.144 179.823 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 tt -75.45 110.83 10.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.55 ' HA3' ' HB3' ' A' ' 95' ' ' PHE . . . -109.57 132.91 11.31 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.775 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 92' ' ' LEU . 60.7 tp -111.61 133.63 53.73 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.331 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 38.5 m -122.39 106.27 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.192 178.552 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 20.4 m -95.52 158.9 15.25 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.004 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 81.3 mt -76.61 46.86 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.813 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.472 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 6.8 tp10 . . . . . 0 C--O 1.253 1.255 0 O-C-N 123.817 0.698 . . . . 0.0 110.898 177.903 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.048 0.452 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 ' HE3' ' A' ' 53' ' ' LYS . 6.3 mp -122.15 94.36 4.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.367 172.291 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.7 p -109.26 154.6 22.22 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -177.463 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.87 10.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 111.58 178.845 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -99.72 -9.29 23.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.113 172.311 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' A' ' 33' ' ' PHE . 3.1 m-20 -66.51 126.08 91.57 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 177.347 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 30' ' ' ASP . 31.5 Cg_exo -60.22 -24.02 75.85 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.002 2.468 . . . . 0.0 112.691 -179.034 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -113.03 27.3 9.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.336 179.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.671 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 54.2 t80 -85.2 92.63 8.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 29.0 mt-30 -65.39 129.04 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.191 -176.179 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.1 150.86 36.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.129 177.168 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -140.52 152.73 45.8 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.164 0.506 . . . . 0.0 110.455 -178.819 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 97.1 mt -102.1 141.56 34.75 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 170.298 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.477 ' CG2' ' HB3' ' A' ' 47' ' ' GLN . 38.4 p -58.05 159.02 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.441 178.868 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 39' ' ' ARG . 3.2 mmp_? -74.14 56.16 0.61 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -177.646 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -71.39 -53.35 14.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.949 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -157.6 -61.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.216 0.532 . . . . 0.0 109.682 179.273 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.0 t -131.29 161.19 32.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.786 -176.418 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -72.09 -0.09 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.0 m -101.52 -3.48 28.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.829 179.473 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -157.9 130.99 7.51 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.918 -0.489 . . . . 0.0 111.753 179.689 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.87 -161.43 33.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.223 177.169 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 35.1 tt0 -84.16 138.25 33.1 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.538 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 tp -89.25 117.25 28.08 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.289 0.566 . . . . 0.0 112.156 -173.44 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -116.15 130.77 56.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.297 172.708 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.72 151.77 16.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.784 0.326 . . . . 0.0 110.772 -178.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 91.2 t80 -96.0 110.6 22.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.248 179.442 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.2 mt -89.8 178.89 6.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.331 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 26' ' ' LEU . 99.7 mttt -60.37 -37.95 82.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -178.19 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD2' ' HE1' ' A' ' 57' ' ' HIS . 6.0 p-10 -82.76 -37.4 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.708 -178.912 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.07 -174.27 44.79 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 119.599 -1.286 . . . . 0.0 113.815 179.717 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.23 139.58 42.68 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.419 -0.391 . . . . 0.0 111.006 -177.027 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' HE1' ' OD2' ' A' ' 54' ' ' ASP . 26.6 m80 -146.28 148.15 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.078 0.466 . . . . 0.0 111.534 -179.385 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.9 mtp -83.58 130.44 34.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.021 179.087 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -90.02 122.03 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.1 m -81.12 137.24 35.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.343 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 p -76.4 41.1 0.24 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.396 0.617 . . . . 0.0 111.064 -178.863 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.559 HE21 HD11 ' A' ' 106' ' ' ILE . 10.0 pt20 -141.92 36.8 1.59 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.728 0.775 . . . . 0.0 109.226 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.6 m -102.59 160.71 14.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.607 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.407 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 4.6 m-90 60.7 20.79 10.79 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.032 0.533 . . . . 0.0 111.615 177.66 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 15.26 81.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.273 -178.254 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG3' HD12 ' A' ' 111' ' ' LEU . 16.0 mmt180 -96.19 133.05 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 p -79.54 160.32 26.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.988 -179.544 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.2 m -77.78 67.83 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.135 0.493 . . . . 0.0 111.148 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 70' ' ' GLN . 0.5 OUTLIER -139.44 135.43 33.57 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.265 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 53.0 tt0 -72.67 116.03 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.26 -176.773 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -88.62 178.42 6.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.535 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -86.8 31.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.242 -177.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 76' ' ' GLN . 13.1 t70 -155.29 87.61 3.21 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 -176.589 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -101.85 1.3 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.058 2.505 . . . . 0.0 112.208 171.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 p -81.29 -9.55 59.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.396 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' HG2' ' OD1' ' A' ' 73' ' ' ASP . 85.4 mm-40 -69.0 -24.55 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.651 177.844 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.73 16.91 16.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.099 -177.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 82' ' ' GLN . 8.3 p -57.23 -35.97 70.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.306 179.08 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -63.24 -34.01 76.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.207 -179.085 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.7 t -62.8 -47.36 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.083 178.44 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.96 -33.0 72.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.66 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 78' ' ' SER . 79.1 mm-40 -63.03 -48.15 79.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.015 179.009 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -20.75 63.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.689 179.676 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.0 mt -88.86 1.9 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 176.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 t30 63.13 47.96 3.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.637 179.06 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 64.6 m -129.61 178.18 6.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.59 -145.25 12.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.936 -178.653 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.74 150.83 96.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.748 0.309 . . . . 0.0 111.048 -177.51 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.95 111.21 3.27 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.747 2.298 . . . . 0.0 111.889 177.332 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 tt -76.94 -51.14 11.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.891 -177.618 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.4 m -135.58 149.06 49.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -176.394 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 128' ' ' LEU . 6.2 tt -147.37 116.94 7.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 -177.793 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.96 -164.31 34.92 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.611 -178.673 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.42 109.42 2.24 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.604 2.203 . . . . 0.0 112.163 -179.396 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.438 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 86.7 t80 -96.91 -26.64 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.612 -174.565 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.9 tp -146.74 140.34 25.81 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.74 -176.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -94.2 58.79 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.59 0.71 . . . . 0.0 110.742 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 m -67.67 100.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.288 -177.851 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 124' ' ' MET . 55.3 m-85 -86.51 49.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.187 0.518 . . . . 0.0 110.232 177.094 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -132.88 112.13 13.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.732 -177.622 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.62 ' HG3' ' HA ' ' A' ' 123' ' ' ASP . 17.2 Cg_endo -91.25 104.41 0.26 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.268 2.645 . . . . 0.0 112.392 178.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -149.12 -68.61 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.428 . . . . 0.0 110.405 177.716 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 m -112.2 25.29 11.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.309 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -95.36 142.42 27.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.279 -178.545 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.73 154.39 38.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 112.381 -176.023 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.559 HD11 HE21 ' A' ' 62' ' ' GLN . 47.6 mt -118.83 125.15 74.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.079 170.765 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.0 m -93.6 140.99 28.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.739 0.304 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -117.85 139.72 50.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.141 -179.402 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.51 -150.72 16.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.048 -177.743 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -82.74 136.43 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -178.121 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.728 HD12 ' HG3' ' A' ' 66' ' ' ARG . 10.0 tt -54.49 124.19 15.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.657 -179.907 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.37 -20.47 18.61 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.679 -177.923 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.1 t -99.41 114.45 27.37 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.322 0.582 . . . . 0.0 111.145 -179.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -99.96 22.88 10.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.359 175.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.5 t -70.22 -24.67 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.884 -175.219 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -140.26 94.84 2.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.068 0.461 . . . . 0.0 110.498 179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 14.7 m -125.92 144.97 50.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.824 177.803 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -125.78 157.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.868 -176.113 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -58.89 127.41 32.07 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.084 179.095 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.4 p -77.73 82.26 4.14 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.009 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 121' ' ' ARG . 25.7 tpt180 -77.72 80.74 4.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.366 0.603 . . . . 0.0 110.719 -176.023 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.628 HD22 ' HG2' ' A' ' 124' ' ' MET . 6.1 t30 -161.82 155.67 21.67 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 175.284 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.62 ' HA ' ' HG3' ' A' ' 101' ' ' PRO . 9.6 p-10 -77.28 32.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -172.618 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.639 ' HA ' ' HA ' ' A' ' 99' ' ' TYR . 13.3 ptp -163.06 146.95 11.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.049 0.452 . . . . 0.0 110.967 179.013 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.3 t -146.97 109.13 4.46 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.705 170.514 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -63.21 102.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 170.902 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.6 m -75.59 126.78 31.69 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.902 0.382 . . . . 0.0 111.198 -171.92 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 92' ' ' LEU . 54.3 tp -75.62 133.92 40.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.884 178.947 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -137.98 158.25 24.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 177.582 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 131' ' ' THR . 3.4 tt -137.89 147.19 44.21 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.857 0.36 . . . . 0.0 110.064 -176.106 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.557 ' N ' HD23 ' A' ' 130' ' ' LEU . 37.7 m -119.4 102.0 8.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.902 177.045 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.5 ' SG ' HD22 ' A' ' 130' ' ' LEU . 19.4 m -88.94 146.31 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.073 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.51 124.44 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 178.481 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.976 -178.394 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -116.2 101.91 9.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.6 m -147.64 153.71 39.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.818 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.452 ' CE2' ' HA2' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -79.41 26.0 0.3 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 111.832 -176.286 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.804 ' HA ' ' HD2' ' A' ' 79' ' ' LYS . 67.2 m-85 -117.66 -0.05 11.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.839 173.293 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.58 137.67 21.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.19 -179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.06 -13.13 37.31 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 123.052 2.501 . . . . 0.0 112.91 -177.046 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -96.11 2.06 52.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.99 178.667 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -86.13 111.51 20.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 0.0 110.095 -179.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.54 ' HB2' ' HB3' ' A' ' 51' ' ' TYR . 16.5 mm-40 -98.35 142.07 30.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.01 179.114 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' HA ' ' HZ3' ' A' ' 56' ' ' TRP . . . -156.32 148.76 23.56 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 -179.409 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -147.6 147.48 30.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.172 0.51 . . . . 0.0 111.334 -178.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 130' ' ' LEU . 67.8 mt -93.75 111.14 22.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.138 175.371 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.8 p -118.97 -173.46 2.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.58 -174.433 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 63.33 20.54 12.32 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.004 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.1 p -156.39 160.53 39.73 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.196 -178.396 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -100.86 -7.15 23.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.991 0.901 . . . . 0.0 108.897 178.176 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.556 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 8.6 m -79.46 111.7 15.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.112 175.623 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -75.22 -14.43 60.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.702 -170.33 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 132' ' ' CYS . 62.2 m -119.19 17.02 13.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.88 0.371 . . . . 0.0 110.72 178.434 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 42' ' ' SER . 33.8 tt0 -159.24 114.31 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.692 -178.243 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.8 -158.36 24.24 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.459 -0.877 . . . . 0.0 111.967 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.451 HE21 ' CB ' ' A' ' 127' ' ' SER . 54.2 mt-30 -92.0 136.25 33.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.799 0.333 . . . . 0.0 110.328 -179.101 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.7 tp -87.25 114.92 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.171 0.51 . . . . 0.0 111.75 -172.652 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 58' ' ' MET . 55.8 mt-10 -110.18 128.19 55.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.505 -0.771 . . . . 0.0 108.944 169.786 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.1 m -107.76 152.55 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.791 -177.12 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' HB3' ' HB2' ' A' ' 34' ' ' GLN . 88.6 t80 -99.03 117.37 33.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.726 179.839 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.6 mt -107.96 179.33 4.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 171.004 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -57.76 -31.6 66.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.17 0.441 . . . . 0.0 111.804 -174.573 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.96 -20.89 34.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.534 -176.049 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.35 -151.11 23.19 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.524 -177.407 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.464 ' HZ3' ' HA ' ' A' ' 35' ' ' ALA . 96.7 m95 -96.45 143.28 27.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 111.108 -175.709 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -145.91 143.86 29.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' ' HG2' ' A' ' 49' ' ' GLU . 75.1 mtp -83.19 140.11 32.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.054 178.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.6 t -103.42 135.62 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.958 -178.439 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -87.58 142.61 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.456 174.174 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.9 p -72.95 -2.54 21.36 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -176.867 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 -0.14 41.84 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.541 178.26 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -69.53 161.26 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.925 -176.083 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 60.97 29.36 18.97 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.689 175.598 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.32 36.68 79.11 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.964 175.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.516 ' NH1' ' H ' ' A' ' 71' ' ' TRP . 60.7 mtt180 -87.0 102.74 14.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.873 0.368 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -88.15 2.02 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 179.68 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -114.34 174.92 5.71 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.423 -176.871 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -70.49 -49.97 42.87 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.759 177.052 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.516 ' H ' ' NH1' ' A' ' 66' ' ' ARG . 3.8 t90 -92.31 145.64 24.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 174.103 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.06 57.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -170.52 100.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.13 171.411 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 62.0 Cg_endo -94.09 -2.32 2.93 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.174 2.583 . . . . 0.0 111.592 170.571 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 89' ' ' PRO . 0.9 OUTLIER -63.51 -25.92 68.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.875 -167.985 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -67.21 -12.94 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -174.973 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.22 34.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.04 0.448 . . . . 0.0 111.243 -177.976 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -52.4 -56.19 16.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.212 -177.476 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.804 ' HD2' ' HA ' ' A' ' 29' ' ' TYR . 96.8 mttt -72.22 -10.71 60.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.051 -171.883 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 84' ' ' LEU . 84.8 t -74.5 -56.31 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.017 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.8 -36.73 85.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.753 -179.896 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' OE1' ' HA ' ' A' ' 82' ' ' GLN . 6.0 tp60 -63.19 -44.51 95.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.981 179.116 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -78.68 -5.45 53.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.762 -179.38 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 80' ' ' VAL . 95.9 mt -97.48 2.09 49.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.727 0.298 . . . . 0.0 110.287 171.171 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.8 m120 64.09 39.57 7.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.145 -179.516 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 76.0 m -118.06 -178.98 3.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.939 177.357 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -83.77 178.99 52.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.597 175.36 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 133' ' ' LEU . 3.1 p-10 -61.85 149.07 86.47 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 0.0 111.822 -176.0 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.573 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 18.7 Cg_endo -58.55 121.85 10.66 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.441 2.761 . . . . 0.0 113.092 -175.83 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.38 -41.96 6.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.886 -174.347 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.476 ' HB2' ' HB ' ' A' ' 131' ' ' THR . 9.0 m -140.89 158.88 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.727 -176.622 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' HG ' ' H ' ' A' ' 93' ' ' GLY . 21.3 tp -153.27 174.13 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -178.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.521 ' H ' ' HG ' ' A' ' 92' ' ' LEU . . . 121.86 -150.16 17.07 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.696 174.344 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -85.16 103.45 0.81 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.862 2.375 . . . . 0.0 112.048 179.27 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.063 ' HB2' ' HA3' ' A' ' 129' ' ' GLY . 47.4 t80 -83.68 -49.04 9.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.049 -0.261 . . . . 0.0 111.559 -174.015 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.555 ' HG ' ' CD2' ' A' ' 95' ' ' PHE . 73.8 mt -139.34 153.67 47.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 111.21 -176.69 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -98.06 66.92 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.044 178.73 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.3 m -57.69 -36.83 72.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.664 178.754 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.1 t80 55.5 54.14 8.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.129 0.49 . . . . 0.0 110.619 173.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.1 m -144.9 87.32 7.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.525 -177.622 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HA ' ' OG ' ' A' ' 104' ' ' SER . 4.2 Cg_exo -79.88 57.83 6.68 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 123.116 2.544 . . . . 0.0 112.1 -179.16 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -116.46 -26.95 6.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.797 -178.834 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 m -139.58 21.99 2.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.139 0.495 . . . . 0.0 110.429 -178.138 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 101' ' ' PRO . 10.8 p -101.77 143.58 31.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.143 -176.584 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 41.5 pt -124.07 156.06 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.055 0.455 . . . . 0.0 110.64 178.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tt -126.2 133.08 69.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 173.691 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -106.64 150.36 26.29 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.807 0.337 . . . . 0.0 111.438 -174.394 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -124.43 164.4 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.782 178.061 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.55 -125.8 8.49 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.917 175.252 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.9 134.22 41.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.659 0.266 . . . . 0.0 110.975 -175.185 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.19 113.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.896 179.721 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 28' ' ' TRP . . . 114.63 -15.17 19.8 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.148 -179.253 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -97.52 130.58 44.58 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.067 0.461 . . . . 0.0 110.402 179.349 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.28 23.5 12.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.228 177.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.2 m -83.58 -14.65 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.714 -177.779 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' A' ' 116' ' ' ASN . 6.9 m120 -132.49 79.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.122 0.487 . . . . 0.0 110.402 178.697 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 107' ' ' CYS . 37.9 m -124.27 158.64 32.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.041 179.654 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.2 t -134.67 146.34 49.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.666 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -63.19 116.65 5.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.973 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 t -78.59 111.65 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -173.977 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -105.36 49.1 0.82 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.0 109.446 179.145 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -134.16 134.1 41.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.082 -178.547 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.31 -17.4 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 178.518 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 51.4 mtm -82.26 50.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.991 177.567 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.59 118.71 27.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.363 -177.459 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -100.18 129.94 46.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.649 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.451 ' CB ' HE21 ' A' ' 47' ' ' GLN . 15.4 m -72.69 135.13 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.594 -174.331 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -73.28 126.49 30.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.683 -179.146 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 1.063 ' HA3' ' HB2' ' A' ' 95' ' ' PHE . . . -116.42 146.53 18.85 Favored Glycine 0 N--CA 1.439 -1.122 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.099 177.153 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.49 HD13 HD13 ' A' ' 92' ' ' LEU . 61.2 tp -127.3 131.11 50.54 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 -178.34 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' A' ' 91' ' ' SER . 38.4 m -113.55 108.91 17.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.753 174.377 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 44' ' ' CYS . 43.2 m -86.67 157.54 19.65 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 176.181 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' ASP . 2.9 tt -60.78 93.99 0.03 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.205 0.526 . . . . 0.0 110.836 -176.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.206 -0.907 . . . . 0.0 108.602 179.159 . . . . . . . . 0 0 . 1 stop_ save_